Cinprazole (C30H32N4O)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O/c35-29(26-13-5-2-6-14-26)17-19-34-28-16-8-7-15-27(28)31-30(34)24-33-22-20-32(21-23-33)18-9-12-25-10-3-1-4-11-25/h1-16H,17-24H2

InChIKey

VIAYOUBFHWUVLW-UHFFFAOYSA-N

Compound name

1-phenyl-3-[2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-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]+	465.264876	218.2
[M+Na]+	487.246818	221.7
[M-H]-	463.250324	224.4
[M+NH4]+	482.291423	221.9
[M+K]+	503.220758	211.8
[M+H-H2O]+	447.254860	203.0
[M+HCOO]-	509.255801	230.6
[M+CH3COO]-	523.271451	223.2
[M+Na-2H]-	485.232266	216.5
[M]+	464.25705142	215.5
[M]-	464.25814858	215.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.264876

218.2

[M+Na]+

487.246818

221.7

[M-H]-

463.250324

224.4

[M+NH4]+

482.291423

221.9

[M+K]+

503.220758

211.8

[M+H-H2O]+

447.254860

203.0

[M+HCOO]-

509.255801

230.6

[M+CH3COO]-

523.271451

223.2

[M+Na-2H]-

485.232266

216.5

[M]+

464.25705142

215.5

[M]-

464.25814858

215.5

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

Cinprazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe