CID 3552696

3-benzyl-5,6-dimethyl-1-(2-oxo-2-phenylethyl)-3h-benzimidazol-1-ium bromide

Structural Information

Molecular Formula
C24H23N2O
SMILES
CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H23N2O/c1-18-13-22-23(14-19(18)2)26(16-24(27)21-11-7-4-8-12-21)17-25(22)15-20-9-5-3-6-10-20/h3-14,17H,15-16H2,1-2H3/q+1
InChIKey
SPPFQPFQHUMHNV-UHFFFAOYSA-N
Compound name
2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.18103 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18831 192.9
[M+Na]+ 378.17025 201.5
[M-H]- 354.17375 201.6
[M+NH4]+ 373.21485 205.1
[M+K]+ 394.14419 188.7
[M+H-H2O]+ 338.17829 184.6
[M+HCOO]- 400.17923 213.0
[M+CH3COO]- 414.19488 210.3
[M+Na-2H]- 376.15570 196.7
[M]+ 355.18048 194.7
[M]- 355.18158 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.