PubChemLite - Losartan metabolite p1 (C22H21ClN6O2)

Structural Information

Molecular Formula

SMILES

CCCC(C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl)O

InChI

InChI=1S/C22H21ClN6O2/c1-2-5-19(31)22-24-20(23)18(13-30)29(22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-25-27-28-26-21/h3-4,6-11,13,19,31H,2,5,12H2,1H3,(H,25,26,27,28)

InChIKey

KMCNHKMBFGXFMW-UHFFFAOYSA-N

Compound name

5-chloro-2-(1-hydroxybutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	437.14873	201.0
[M+Na]+	459.13067	210.7
[M-H]-	435.13417	205.2
[M+NH4]+	454.17527	205.1
[M+K]+	475.10461	201.4
[M+H-H2O]+	419.13871	188.3
[M+HCOO]-	481.13965	211.6
[M+CH3COO]-	495.15530	208.4
[M+Na-2H]-	457.11612	198.4
[M]+	436.14090	205.2
[M]-	436.14200	205.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.14873

201.0

[M+Na]+

459.13067

210.7

[M-H]-

435.13417

205.2

[M+NH4]+

454.17527

205.1

[M+K]+

475.10461

201.4

[M+H-H2O]+

419.13871

188.3

[M+HCOO]-

481.13965

211.6

[M+CH3COO]-

495.15530

208.4

[M+Na-2H]-

457.11612

198.4

[M]+

436.14090

205.2

[M]-

436.14200

205.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Losartan metabolite p1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe