CID 503932

Chembl559077

Structural Information

Molecular Formula
C16H15N3
SMILES
CC1=C(N(C=N1)NC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3/c1-13-16(14-8-4-2-5-9-14)19(12-17-13)18-15-10-6-3-7-11-15/h2-12,18H,1H3
InChIKey
ZQAQKDWDKQLXGK-UHFFFAOYSA-N
Compound name
4-methyl-N,5-diphenylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

249.1266 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 156.0
[M+Na]+ 272.11582 164.1
[M-H]- 248.11932 163.5
[M+NH4]+ 267.16042 171.7
[M+K]+ 288.08976 158.6
[M+H-H2O]+ 232.12386 146.2
[M+HCOO]- 294.12480 180.3
[M+CH3COO]- 308.14045 168.3
[M+Na-2H]- 270.10127 161.9
[M]+ 249.12605 155.1
[M]- 249.12715 155.1
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