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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.