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
6
Annotation Hits

0
References

1
Patents

235.05124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.058516 150.6
[M+Na]+ 258.040458 160.6
[M-H]- 234.043964 153.7
[M+NH4]+ 253.085063 167.4
[M+K]+ 274.014398 154.6
[M+H-H2O]+ 218.048500 143.4
[M+HCOO]- 280.049441 167.8
[M+CH3COO]- 294.065091 189.3
[M+Na-2H]- 256.025906 152.7
[M]+ 235.05069142 150.1
[M]- 235.05178858 150.1
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