CID 12099795

4-(4,5-diphenyl-1h-imidazol-2-yl)benzonitrile

Structural Information

Molecular Formula
C22H15N3
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C#N)C4=CC=CC=C4
InChI
InChI=1S/C22H15N3/c23-15-16-11-13-19(14-12-16)22-24-20(17-7-3-1-4-8-17)21(25-22)18-9-5-2-6-10-18/h1-14H,(H,24,25)
InChIKey
KGOZFYOJDPVGMV-UHFFFAOYSA-N
Compound name
4-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

321.1266 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13388 182.5
[M+Na]+ 344.11582 192.9
[M-H]- 320.11932 188.0
[M+NH4]+ 339.16042 192.3
[M+K]+ 360.08976 181.5
[M+H-H2O]+ 304.12386 164.8
[M+HCOO]- 366.12480 199.0
[M+CH3COO]- 380.14045 190.6
[M+Na-2H]- 342.10127 184.1
[M]+ 321.12605 174.4
[M]- 321.12715 174.4
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