PubChemLite - Clopimozide (C28H28ClF2N3O)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H28ClF2N3O/c29-21-7-12-27-26(18-21)32-28(35)34(27)24-13-16-33(17-14-24)15-1-2-25(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24-25H,1-2,13-17H2,(H,32,35)

InChIKey

JCZYXTVBWHAWLL-UHFFFAOYSA-N

Compound name

3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-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]+	496.19618	220.9
[M+Na]+	518.17812	228.4
[M-H]-	494.18162	225.8
[M+NH4]+	513.22272	226.1
[M+K]+	534.15206	217.0
[M+H-H2O]+	478.18616	206.1
[M+HCOO]-	540.18710	227.2
[M+CH3COO]-	554.20275	226.4
[M+Na-2H]-	516.16357	216.1
[M]+	495.18835	218.6
[M]-	495.18945	218.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.19618

220.9

[M+Na]+

518.17812

228.4

[M-H]-

494.18162

225.8

[M+NH4]+

513.22272

226.1

[M+K]+

534.15206

217.0

[M+H-H2O]+

478.18616

206.1

[M+HCOO]-

540.18710

227.2

[M+CH3COO]-

554.20275

226.4

[M+Na-2H]-

516.16357

216.1

[M]+

495.18835

218.6

[M]-

495.18945

218.6

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

Clopimozide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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