Eprosartan (C23H24N2O4S)

Structural Information

Molecular Formula

SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+

InChIKey

OROAFUQRIXKEMV-LDADJPATSA-N

Compound name

4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid

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]+	425.152976	203.3
[M+Na]+	447.134918	209.5
[M-H]-	423.138424	209.0
[M+NH4]+	442.179523	213.2
[M+K]+	463.108858	203.5
[M+H-H2O]+	407.142960	195.3
[M+HCOO]-	469.143901	217.0
[M+CH3COO]-	483.159551	219.5
[M+Na-2H]-	445.120366	196.5
[M]+	424.14515142	208.7
[M]-	424.14624858	208.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.152976

203.3

[M+Na]+

447.134918

209.5

[M-H]-

423.138424

209.0

[M+NH4]+

442.179523

213.2

[M+K]+

463.108858

203.5

[M+H-H2O]+

407.142960

195.3

[M+HCOO]-

469.143901

217.0

[M+CH3COO]-

483.159551

219.5

[M+Na-2H]-

445.120366

196.5

[M]+

424.14515142

208.7

[M]-

424.14624858

208.7

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

Eprosartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe