Dataset

CANDESARTAN CILEXETIL

This MassBank record with Accession MSBNK-UPAO-UPA00014 contains the MS2 mass spectrum of CANDESARTAN CILEXETIL with the InChIkey GHOSNRCGJFBJIB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)
SMILES CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6
InChI Key GHOSNRCGJFBJIB-UHFFFAOYSA-N
Molecular Formula C33H34N6O6
Exact Mass 610.254 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UPAO-UPA00014
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MetadataCreated 2024-01-11T22:10:02.178043
MetadataModified 2025-02-09T19:56:32.121754
MetadataPublished 2016-01-19
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