PubChemLite - 1h-1-ethyl candesartan cilexetil (C35H38N6O6)

Structural Information

Molecular Formula

SMILES

CCN1C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN4C5=C(C=CC=C5N=C4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6

InChI

InChI=1S/C35H38N6O6/c1-4-41-32(37-38-39-41)28-15-10-9-14-27(28)25-20-18-24(19-21-25)22-40-31-29(16-11-17-30(31)36-34(40)44-5-2)33(42)45-23(3)46-35(43)47-26-12-7-6-8-13-26/h9-11,14-21,23,26H,4-8,12-13,22H2,1-3H3

InChIKey

HKUZPIFWPFYKBZ-UHFFFAOYSA-N

Compound name

1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-ethyltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

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]+	639.29258	249.5
[M+Na]+	661.27452	262.5
[M+NH4]+	656.31912	251.3
[M+K]+	677.24846	260.6
[M-H]-	637.27802	254.4
[M+Na-2H]-	659.25997	256.3
[M]+	638.28475	252.5
[M]-	638.28585	252.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

639.29258

249.5

[M+Na]+

661.27452

262.5

[M+NH4]+

656.31912

251.3

[M+K]+

677.24846

260.6

[M-H]-

637.27802

254.4

[M+Na-2H]-

659.25997

256.3

[M]+

638.28475

252.5

[M]-

638.28585

252.5

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

1h-1-ethyl candesartan cilexetil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe