PubChemLite - 2,2,2-trifluoro-n-[3-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]propyl]acetamide (C23H26F3N5O)

Structural Information

Molecular Formula

SMILES

CN(CC1=NC2=CC=CC=C2N1CCCNC(=O)C(F)(F)F)C3CCCC4=C3N=CC=C4

InChI

InChI=1S/C23H26F3N5O/c1-30(19-11-4-7-16-8-5-12-27-21(16)19)15-20-29-17-9-2-3-10-18(17)31(20)14-6-13-28-22(32)23(24,25)26/h2-3,5,8-10,12,19H,4,6-7,11,13-15H2,1H3,(H,28,32)

InChIKey

QEAUGYCQBOQSEI-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-[3-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]propyl]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]+	446.21623	205.8
[M+Na]+	468.19817	211.3
[M-H]-	444.20167	207.0
[M+NH4]+	463.24277	214.2
[M+K]+	484.17211	204.8
[M+H-H2O]+	428.20621	191.9
[M+HCOO]-	490.20715	218.8
[M+CH3COO]-	504.22280	238.0
[M+Na-2H]-	466.18362	207.9
[M]+	445.20840	203.7
[M]-	445.20950	203.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.21623

205.8

[M+Na]+

468.19817

211.3

[M-H]-

444.20167

207.0

[M+NH4]+

463.24277

214.2

[M+K]+

484.17211

204.8

[M+H-H2O]+

428.20621

191.9

[M+HCOO]-

490.20715

218.8

[M+CH3COO]-

504.22280

238.0

[M+Na-2H]-

466.18362

207.9

[M]+

445.20840

203.7

[M]-

445.20950

203.7

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

2,2,2-trifluoro-n-[3-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]propyl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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