CID 503925

Chembl564943

Structural Information

Molecular Formula
C16H14ClN3
SMILES
CC1=C(N(C=N1)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H14ClN3/c1-12-16(13-6-3-2-4-7-13)20(11-18-12)19-15-9-5-8-14(17)10-15/h2-11,19H,1H3
InChIKey
RTJKWRSLMYBKBB-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-4-methyl-5-phenylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

283.08762 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09490 164.5
[M+Na]+ 306.07684 174.2
[M-H]- 282.08034 171.9
[M+NH4]+ 301.12144 179.9
[M+K]+ 322.05078 167.1
[M+H-H2O]+ 266.08488 155.0
[M+HCOO]- 328.08582 183.9
[M+CH3COO]- 342.10147 176.5
[M+Na-2H]- 304.06229 168.8
[M]+ 283.08707 166.1
[M]- 283.08817 166.1
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