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

17
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.