CID 2947591

5,6-dimethyl-1-(1-phenylethyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C17H18N2
SMILES
CC1=CC2=C(C=C1C)N(C=N2)C(C)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2/c1-12-9-16-17(10-13(12)2)19(11-18-16)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3
InChIKey
PZEYBOSJUVVTEO-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1-(1-phenylethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.147 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 158.3
[M+Na]+ 273.13622 174.9
[M+NH4]+ 268.18082 167.8
[M+K]+ 289.11016 167.9
[M-H]- 249.13972 163.1
[M+Na-2H]- 271.12167 167.8
[M]+ 250.14645 162.3
[M]- 250.14755 162.3
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

No patent data available for this compound.