CID 503938

Chembl564924

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC1=C(N(C=N1)NC2=CC(=CC=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O/c1-13-17(14-7-4-3-5-8-14)20(12-18-13)19-15-9-6-10-16(11-15)21-2/h3-12,19H,1-2H3
InChIKey
UHXVKJXLFYQUNF-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-4-methyl-5-phenylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

279.13718 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 164.2
[M+Na]+ 302.12640 172.6
[M-H]- 278.12990 172.0
[M+NH4]+ 297.17100 178.9
[M+K]+ 318.10034 167.6
[M+H-H2O]+ 262.13444 154.3
[M+HCOO]- 324.13538 188.4
[M+CH3COO]- 338.15103 176.3
[M+Na-2H]- 300.11185 168.8
[M]+ 279.13663 165.5
[M]- 279.13773 165.5
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