PubChemLite - Losartan (C22H23ClN6O)

Structural Information

Molecular Formula

SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl

InChI

InChI=1S/C22H23ClN6O/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/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)

InChIKey

PSIFNNKUMBGKDQ-UHFFFAOYSA-N

Compound name

[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol

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]+	423.16948	199.7
[M+Na]+	445.15142	209.8
[M-H]-	421.15492	203.5
[M+NH4]+	440.19602	204.6
[M+K]+	461.12536	199.7
[M+H-H2O]+	405.15946	186.7
[M+HCOO]-	467.16040	210.9
[M+CH3COO]-	481.17605	207.3
[M+Na-2H]-	443.13687	197.8
[M]+	422.16165	203.7
[M]-	422.16275	203.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.16948

199.7

[M+Na]+

445.15142

209.8

[M-H]-

421.15492

203.5

[M+NH4]+

440.19602

204.6

[M+K]+

461.12536

199.7

[M+H-H2O]+

405.15946

186.7

[M+HCOO]-

467.16040

210.9

[M+CH3COO]-

481.17605

207.3

[M+Na-2H]-

443.13687

197.8

[M]+

422.16165

203.7

[M]-

422.16275

203.7

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

Losartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe