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 158.7
[M+Na]+ 273.13622 169.0
[M-H]- 249.13972 164.6
[M+NH4]+ 268.18082 176.5
[M+K]+ 289.11016 163.7
[M+H-H2O]+ 233.14426 150.2
[M+HCOO]- 295.14520 180.5
[M+CH3COO]- 309.16085 171.6
[M+Na-2H]- 271.12167 163.1
[M]+ 250.14645 161.4
[M]- 250.14755 161.4
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.