Spectrum CCMSLIB00003061262 for Losartan carboxaldehyde [EXP3179]

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
114798-36-6
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
C22H21ClN6O
420.146536972
O=CC1=C(Cl)N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C=4N=NNN4)CCCC
FQZSMTSTFMNWQF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Other
Orbitrap
421.154
1
f.alan_jarmusch/Annotations/Losartancarboxaldehyde_EXP3179.mzXML;
MS2
GNPS-LIBRARY
Dorrestein, alan_jarmusch
positive
3.294276493834969
0.6548687301806732
421.154
[M+H]+
1.2037686926454394 ppm
-5.069719999823974E-4 Da