CID 503937

Chembl562437

Structural Information

Molecular Formula
C18H19N3
SMILES
CC1=CC(=CC(=C1)NN2C=NC(=C2C3=CC=CC=C3)C)C
InChI
InChI=1S/C18H19N3/c1-13-9-14(2)11-17(10-13)20-21-12-19-15(3)18(21)16-7-5-4-6-8-16/h4-12,20H,1-3H3
InChIKey
LDBQIHSOTLIUAR-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-4-methyl-5-phenylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

277.1579 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16518 166.0
[M+Na]+ 300.14712 175.1
[M-H]- 276.15062 174.0
[M+NH4]+ 295.19172 181.2
[M+K]+ 316.12106 169.1
[M+H-H2O]+ 260.15516 156.3
[M+HCOO]- 322.15610 189.6
[M+CH3COO]- 336.17175 178.1
[M+Na-2H]- 298.13257 169.3
[M]+ 277.15735 166.6
[M]- 277.15845 166.6
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