CID 503926

Chembl564485

Structural Information

Molecular Formula
C16H13BrClN3
SMILES
CC1=C(N(C=N1)NC2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Br
InChI
InChI=1S/C16H13BrClN3/c1-11-16(12-4-2-5-13(17)8-12)21(10-19-11)20-15-7-3-6-14(18)9-15/h2-10,20H,1H3
InChIKey
RPLVPONIOXJRJW-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)-N-(3-chlorophenyl)-4-methylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

360.99814 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.00542 173.8
[M+Na]+ 383.98736 187.2
[M-H]- 359.99086 183.9
[M+NH4]+ 379.03196 190.3
[M+K]+ 399.96130 172.4
[M+H-H2O]+ 343.99540 171.3
[M+HCOO]- 405.99634 191.0
[M+CH3COO]- 420.01199 187.4
[M+Na-2H]- 381.97281 178.5
[M]+ 360.99759 194.4
[M]- 360.99869 194.4
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