PubChemLite - 2h-quinolizine, octahydro-1-(2-(p-methoxybenzyl)-5-(trifluoromethyl)-1-benzimidazolyl-methyl)- (C26H30F3N3O)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)CC2=NC3=C(N2CC4CCCN5C4CCCC5)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C26H30F3N3O/c1-33-21-10-7-18(8-11-21)15-25-30-22-16-20(26(27,28)29)9-12-24(22)32(25)17-19-5-4-14-31-13-3-2-6-23(19)31/h7-12,16,19,23H,2-6,13-15,17H2,1H3

InChIKey

TZCMOUOFLGIXFI-UHFFFAOYSA-N

Compound name

1-[[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

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]+	458.24138	211.7
[M+Na]+	480.22332	222.2
[M+NH4]+	475.26792	217.0
[M+K]+	496.19726	215.6
[M-H]-	456.22682	212.3
[M+Na-2H]-	478.20877	215.2
[M]+	457.23355	213.2
[M]-	457.23465	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

458.24138

211.7

[M+Na]+

480.22332

222.2

[M+NH4]+

475.26792

217.0

[M+K]+

496.19726

215.6

[M-H]-

456.22682

212.3

[M+Na-2H]-

478.20877

215.2

[M]+

457.23355

213.2

[M]-

457.23465

213.2

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

2h-quinolizine, octahydro-1-(2-(p-methoxybenzyl)-5-(trifluoromethyl)-1-benzimidazolyl-methyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe