CID 236696

4,5-diphenyl-2-methylimidazole

Structural Information

Molecular Formula
C16H14N2
SMILES
CC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)
InChIKey
WBDSXISQIHMTGL-UHFFFAOYSA-N
Compound name
2-methyl-4,5-diphenyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

649
Patents

234.11569 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 152.9
[M+Na]+ 257.10491 161.5
[M-H]- 233.10841 159.1
[M+NH4]+ 252.14951 168.9
[M+K]+ 273.07885 155.2
[M+H-H2O]+ 217.11295 143.8
[M+HCOO]- 279.11389 174.6
[M+CH3COO]- 293.12954 165.1
[M+Na-2H]- 255.09036 157.7
[M]+ 234.11514 150.8
[M]- 234.11624 150.8
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.