CID 3071844

N(sup 1)-(4-chlorophenyl)-n(sup 2)-phenyl-1h-imidazole-1,2-dicarboxamide

Structural Information

Molecular Formula
C17H13ClN4O2
SMILES
C1=CC=C(C=C1)NC(=O)C2=NC=CN2C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN4O2/c18-12-6-8-14(9-7-12)21-17(24)22-11-10-19-15(22)16(23)20-13-4-2-1-3-5-13/h1-11H,(H,20,23)(H,21,24)
InChIKey
KYYUBJQYGBKSEN-UHFFFAOYSA-N
Compound name
1-N-(4-chlorophenyl)-2-N-phenylimidazole-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0727 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.079976 177.0
[M+Na]+ 363.061918 184.1
[M-H]- 339.065424 184.5
[M+NH4]+ 358.106523 189.1
[M+K]+ 379.035858 178.1
[M+H-H2O]+ 323.069960 167.0
[M+HCOO]- 385.070901 196.1
[M+CH3COO]- 399.086551 187.3
[M+Na-2H]- 361.047366 180.2
[M]+ 340.07215142 178.0
[M]- 340.07324858 178.0
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.