PubChemLite - 2-(4-phenylpiperazin-1-yl)-n-[4-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]phenyl]acetamide (C26H24F3N5O)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C26H24F3N5O/c27-26(28,29)19-8-11-22-23(16-19)32-25(31-22)18-6-9-20(10-7-18)30-24(35)17-33-12-14-34(15-13-33)21-4-2-1-3-5-21/h1-11,16H,12-15,17H2,(H,30,35)(H,31,32)

InChIKey

IYLXTMVFFPDRMN-UHFFFAOYSA-N

Compound name

2-(4-phenylpiperazin-1-yl)-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide

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]+	480.20058	213.4
[M+Na]+	502.18252	219.0
[M-H]-	478.18602	216.2
[M+NH4]+	497.22712	216.2
[M+K]+	518.15646	208.9
[M+H-H2O]+	462.19056	197.7
[M+HCOO]-	524.19150	222.1
[M+CH3COO]-	538.20715	218.0
[M+Na-2H]-	500.16797	213.5
[M]+	479.19275	205.6
[M]-	479.19385	205.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.20058

213.4

[M+Na]+

502.18252

219.0

[M-H]-

478.18602

216.2

[M+NH4]+

497.22712

216.2

[M+K]+

518.15646

208.9

[M+H-H2O]+

462.19056

197.7

[M+HCOO]-

524.19150

222.1

[M+CH3COO]-

538.20715

218.0

[M+Na-2H]-

500.16797

213.5

[M]+

479.19275

205.6

[M]-

479.19385

205.6

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

2-(4-phenylpiperazin-1-yl)-n-[4-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]phenyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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