CID 503927

Chembl569149

Structural Information

Molecular Formula
C16H13Cl2N3
SMILES
CC1=C(N(C=N1)NC2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H13Cl2N3/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
AYUCHYJCWCDORA-UHFFFAOYSA-N
Compound name
N,5-bis(3-chlorophenyl)-4-methylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

317.04865 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05593 172.0
[M+Na]+ 340.03787 182.8
[M-H]- 316.04137 178.7
[M+NH4]+ 335.08247 186.7
[M+K]+ 356.01181 174.7
[M+H-H2O]+ 300.04591 162.8
[M+HCOO]- 362.04685 186.0
[M+CH3COO]- 376.06250 183.4
[M+Na-2H]- 338.02332 174.6
[M]+ 317.04810 175.2
[M]- 317.04920 175.2
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