CID 45051080

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

Structural Information

Molecular Formula
C25H25N2O
SMILES
CC1=CC2=C(C=C1C)[N+](=CN2C(C)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C25H25N2O/c1-18-14-23-24(15-19(18)2)27(17-26(23)16-21-10-6-4-7-11-21)20(3)25(28)22-12-8-5-9-13-22/h4-15,17,20H,16H2,1-3H3/q+1
InChIKey
VETAJDDJXVWXDV-UHFFFAOYSA-N
Compound name
2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1967 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20398 196.9
[M+Na]+ 392.18592 204.7
[M-H]- 368.18942 205.5
[M+NH4]+ 387.23052 208.5
[M+K]+ 408.15986 192.2
[M+H-H2O]+ 352.19396 188.6
[M+HCOO]- 414.19490 215.6
[M+CH3COO]- 428.21055 214.0
[M+Na-2H]- 390.17137 199.1
[M]+ 369.19615 198.5
[M]- 369.19725 198.5
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.