CID 503933

Chembl552041

Structural Information

Molecular Formula
C17H17N3
SMILES
CC1=CC(=CC=C1)NN2C=NC(=C2C3=CC=CC=C3)C
InChI
InChI=1S/C17H17N3/c1-13-7-6-10-16(11-13)19-20-12-18-14(2)17(20)15-8-4-3-5-9-15/h3-12,19H,1-2H3
InChIKey
QTHXKUDOCGYFHF-UHFFFAOYSA-N
Compound name
4-methyl-N-(3-methylphenyl)-5-phenylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

263.14224 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.149516 161.1
[M+Na]+ 286.131458 169.7
[M-H]- 262.134964 168.8
[M+NH4]+ 281.176063 176.5
[M+K]+ 302.105398 163.9
[M+H-H2O]+ 246.139500 151.3
[M+HCOO]- 308.140441 185.0
[M+CH3COO]- 322.156091 173.3
[M+Na-2H]- 284.116906 165.6
[M]+ 263.14169142 160.9
[M]- 263.14278858 160.9
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