CID 12974798

1-methyl-4,5-diphenyl-1h-imidazole

Structural Information

Molecular Formula
C16H14N2
SMILES
CN1C=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2/c1-18-12-17-15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
VDIRUWTYFVIERN-UHFFFAOYSA-N
Compound name
1-methyl-4,5-diphenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

96
Patents

234.11569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 152.7
[M+Na]+ 257.10491 161.7
[M-H]- 233.10841 160.2
[M+NH4]+ 252.14951 169.3
[M+K]+ 273.07885 156.3
[M+H-H2O]+ 217.11295 143.2
[M+HCOO]- 279.11389 175.9
[M+CH3COO]- 293.12954 165.5
[M+Na-2H]- 255.09036 157.9
[M]+ 234.11514 152.4
[M]- 234.11624 152.4
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

patents stripe