Dataset

3-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, 11-(4,6-dipyrrolidinyl-1,3,5-triazin-2-yl)-7,11-diazatricyclo[7.3.1.0<2,7>]tri deca-2,4-dien-6-one; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80300 contains the MS mass spectrum of 3-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, 11-(4,6-dipyrrolidinyl-1,3,5-triazin-2-yl)-7,11-diazatricyclo[7.3.1.0]tri deca-2,4-dien-6-one with the InChIkey NZPAMSHQYRPUFB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H29N7O/c30-19-7-5-6-18-17-12-16(14-29(18)19)13-28(15-17)22-24-20(26-8-1-2-9-26)23-21(25-22)27-10-3-4-11-27/h5-7,16-17H,1-4,8-15H2
SMILES C1CCN(C1)C2=NC(=NC(=N2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)N6CCCC6
InChI Key NZPAMSHQYRPUFB-UHFFFAOYSA-N
Molecular Formula C22H29N7O
Exact Mass 407.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80300
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 11-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1410360 eMolecules
    MCULE-7158674609 Mcule
    2900693 PubChem
    SCHEMBL20435756 SureChEMBL
    The data in this table is sourced from UniChem at EBI.