PubChemLite - 2-descarboxy-2-cyano telmisartan (C33H29N5)

Structural Information

Molecular Formula

SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2C)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C33H29N5/c1-4-9-31-36-32-22(2)18-26(33-35-28-12-7-8-13-29(28)37(33)3)19-30(32)38(31)21-23-14-16-24(17-15-23)27-11-6-5-10-25(27)20-34/h5-8,10-19H,4,9,21H2,1-3H3

InChIKey

XIEVZYAEXURSHX-UHFFFAOYSA-N

Compound name

2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile

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]+	496.24958	228.9
[M+Na]+	518.23152	248.1
[M+NH4]+	513.27612	233.2
[M+K]+	534.20546	236.1
[M-H]-	494.23502	229.7
[M+Na-2H]-	516.21697	235.6
[M]+	495.24175	231.6
[M]-	495.24285	231.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.24958

228.9

[M+Na]+

518.23152

248.1

[M+NH4]+

513.27612

233.2

[M+K]+

534.20546

236.1

[M-H]-

494.23502

229.7

[M+Na-2H]-

516.21697

235.6

[M]+

495.24175

231.6

[M]-

495.24285

231.6

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

2-descarboxy-2-cyano telmisartan

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe