CID 199049

3652-92-4

Structural Information

Molecular Formula
C15H16N2
SMILES
CN1C(N(C2=CC=CC=C21)C)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2/c1-16-13-10-6-7-11-14(13)17(2)15(16)12-8-4-3-5-9-12/h3-11,15H,1-2H3
InChIKey
VDFIVJSRRJXMAU-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-phenyl-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

238
Patents

224.13135 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13863 151.6
[M+Na]+ 247.12057 161.0
[M-H]- 223.12407 156.9
[M+NH4]+ 242.16517 170.3
[M+K]+ 263.09451 156.1
[M+H-H2O]+ 207.12861 143.2
[M+HCOO]- 269.12955 172.2
[M+CH3COO]- 283.14520 164.4
[M+Na-2H]- 245.10602 156.1
[M]+ 224.13080 151.3
[M]- 224.13190 151.3
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