CID 503935

Chembl559966

Structural Information

Molecular Formula
C18H19N3
SMILES
CCC1=C(N(C=N1)NC2=CC=CC(=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3/c1-3-17-18(15-9-5-4-6-10-15)21(13-19-17)20-16-11-7-8-14(2)12-16/h4-13,20H,3H2,1-2H3
InChIKey
MSRDUBSVBLFLJP-UHFFFAOYSA-N
Compound name
4-ethyl-N-(3-methylphenyl)-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 165.6
[M+Na]+ 300.14712 173.7
[M-H]- 276.15062 173.1
[M+NH4]+ 295.19172 180.4
[M+K]+ 316.12106 167.7
[M+H-H2O]+ 260.15516 155.6
[M+HCOO]- 322.15610 189.2
[M+CH3COO]- 336.17175 177.3
[M+Na-2H]- 298.13257 169.6
[M]+ 277.15735 165.8
[M]- 277.15845 165.8
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