PubChemLite - O-acetyl losartan (C24H25ClN6O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H25ClN6O2/c1-3-4-9-22-26-23(25)21(15-33-16(2)32)31(22)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24-27-29-30-28-24/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,28,29,30)

InChIKey

HIUYRCVDCVFSBP-UHFFFAOYSA-N

Compound name

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

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]+	465.18004	209.9
[M+Na]+	487.16198	219.1
[M-H]-	463.16548	214.9
[M+NH4]+	482.20658	213.5
[M+K]+	503.13592	210.2
[M+H-H2O]+	447.17002	196.4
[M+HCOO]-	509.17096	221.2
[M+CH3COO]-	523.18661	217.1
[M+Na-2H]-	485.14743	206.5
[M]+	464.17221	216.2
[M]-	464.17331	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.18004

209.9

[M+Na]+

487.16198

219.1

[M-H]-

463.16548

214.9

[M+NH4]+

482.20658

213.5

[M+K]+

503.13592

210.2

[M+H-H2O]+

447.17002

196.4

[M+HCOO]-

509.17096

221.2

[M+CH3COO]-

523.18661

217.1

[M+Na-2H]-

485.14743

206.5

[M]+

464.17221

216.2

[M]-

464.17331

216.2

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

O-acetyl losartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe