Dataset

Nialamide

This MassBank record with Accession MSBNK-Waters-WA002045 contains the MS mass spectrum of Nialamide with the InChIkey NOIIUHRQUVNIDD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)
SMILES O=C(CCNNC(=O)c(c2)ccnc2)NCc(c1)cccc1
InChI Key NOIIUHRQUVNIDD-UHFFFAOYSA-N
Molecular Formula C16H18N4O2
Exact Mass 298.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002045
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:25.913889
MetadataModified 2024-01-11T22:48:26.105781
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SAM001246861 NIH Clinical Collection
CHEMBL1256841 ChEMBL
DB04820 DrugBank
27678417 eMolecules
492142 eMolecules
J2.302G Nikkaji
MCULE-7326088210 Mcule
HMDB0255576 Human Metabolome Database
LSM-5300 LINCS
14751634 PubChem: Thomson Pharma
51-12-7 ACToR
SCHEMBL49430 SureChEMBL
T2Q0RYM725 FDA SRS
PD000240 ProbesDrugs
4472 PubChem
ZINC000001713761 ZINC
163693 BindingDB
HY-B1199 MedChemExpress
NIALAMIDE rxnorm
94510 ChEBI
DTXSID1023362 EPA CompTox Dashboard
1907 DrugCentral
The data in this table is sourced from UniChem at EBI.