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]+ 341.07998 177.0
[M+Na]+ 363.06192 184.1
[M-H]- 339.06542 184.5
[M+NH4]+ 358.10652 189.1
[M+K]+ 379.03586 178.1
[M+H-H2O]+ 323.06996 167.0
[M+HCOO]- 385.07090 196.1
[M+CH3COO]- 399.08655 187.3
[M+Na-2H]- 361.04737 180.2
[M]+ 340.07215 178.0
[M]- 340.07325 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.