PubChemLite - Enoltasosartan (C23H19N7O2)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=CC(=O)N(C2=NC(=N1)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)O

InChI

InChI=1S/C23H19N7O2/c1-13-21-19(31)11-20(32)30(23(21)25-14(2)24-13)12-15-7-9-16(10-8-15)17-5-3-4-6-18(17)22-26-28-29-27-22/h3-11,31H,12H2,1-2H3,(H,26,27,28,29)

InChIKey

YROKAAIPBSCMJN-UHFFFAOYSA-N

Compound name

5-hydroxy-2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

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]+	426.16731	208.5
[M+Na]+	448.14925	220.7
[M-H]-	424.15275	212.7
[M+NH4]+	443.19385	210.0
[M+K]+	464.12319	209.5
[M+H-H2O]+	408.15729	194.8
[M+HCOO]-	470.15823	221.1
[M+CH3COO]-	484.17388	215.5
[M+Na-2H]-	446.13470	210.6
[M]+	425.15948	210.3
[M]-	425.16058	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.16731

208.5

[M+Na]+

448.14925

220.7

[M-H]-

424.15275

212.7

[M+NH4]+

443.19385

210.0

[M+K]+

464.12319

209.5

[M+H-H2O]+

408.15729

194.8

[M+HCOO]-

470.15823

221.1

[M+CH3COO]-

484.17388

215.5

[M+Na-2H]-

446.13470

210.6

[M]+

425.15948

210.3

[M]-

425.16058

210.3

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

Enoltasosartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe