CID 76967240

4-chloro-5-(4-methylphenyl)-1h-imidazole-2-carboxamide

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
CC1=CC=C(C=C1)C2=C(NC(=N2)C(=O)N)Cl
InChI
InChI=1S/C11H10ClN3O/c1-6-2-4-7(5-3-6)8-9(12)15-11(14-8)10(13)16/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKey
LQRJEEYWJGJHJA-UHFFFAOYSA-N
Compound name
5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

235.05124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 150.0
[M+Na]+ 258.04046 163.1
[M+NH4]+ 253.08506 157.4
[M+K]+ 274.01440 158.8
[M-H]- 234.04396 152.3
[M+Na-2H]- 256.02591 156.8
[M]+ 235.05069 152.6
[M]- 235.05179 152.6
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

No patent data available for this compound.