CID 503930

Chembl556322

Structural Information

Molecular Formula
C11H12ClN3
SMILES
CC1=C(N(C=N1)NC2=CC(=CC=C2)Cl)C
InChI
InChI=1S/C11H12ClN3/c1-8-9(2)15(7-13-8)14-11-5-3-4-10(12)6-11/h3-7,14H,1-2H3
InChIKey
NELSTVADQULODT-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-4,5-dimethylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

221.07198 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07926 147.7
[M+Na]+ 244.06120 158.3
[M-H]- 220.06470 152.3
[M+NH4]+ 239.10580 166.2
[M+K]+ 260.03514 153.0
[M+H-H2O]+ 204.06924 140.0
[M+HCOO]- 266.07018 167.5
[M+CH3COO]- 280.08583 161.0
[M+Na-2H]- 242.04665 152.4
[M]+ 221.07143 149.9
[M]- 221.07253 149.9
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.