CID 16658423

3-mesityl-1-methyl-1h-benzo[d]imidazol-3-ium iodide

Structural Information

Molecular Formula
C17H19N2
SMILES
CC1=CC(=C(C(=C1)C)N2C=[N+](C3=CC=CC=C32)C)C
InChI
InChI=1S/C17H19N2/c1-12-9-13(2)17(14(3)10-12)19-11-18(4)15-7-5-6-8-16(15)19/h5-11H,1-4H3/q+1
InChIKey
YIWLONSMXXCXEG-UHFFFAOYSA-N
Compound name
1-methyl-3-(2,4,6-trimethylphenyl)benzimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

251.15483 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.16211 161.0
[M+Na]+ 274.14405 173.1
[M-H]- 250.14755 167.8
[M+NH4]+ 269.18865 179.1
[M+K]+ 290.11799 162.0
[M+H-H2O]+ 234.15209 155.5
[M+HCOO]- 296.15303 183.3
[M+CH3COO]- 310.16868 192.8
[M+Na-2H]- 272.12950 167.3
[M]+ 251.15428 163.8
[M]- 251.15538 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe