CID 16078800

1,2-bis(4-chlorophenyl)-n-[(2-chlorophenyl)methyl]-3-hydroxy-5-oxo-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C23H16Cl3N3O3
SMILES
C1=CC=C(C(=C1)CNC(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O)Cl
InChI
InChI=1S/C23H16Cl3N3O3/c24-15-5-9-17(10-6-15)28-22(31)20(21(30)27-13-14-3-1-2-4-19(14)26)23(32)29(28)18-11-7-16(25)8-12-18/h1-12,31H,13H2,(H,27,30)
InChIKey
JYRGFVVDUOLNCP-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3-hydroxy-5-oxopyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

487.02573 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.03301 209.6
[M+Na]+ 510.01495 220.1
[M-H]- 486.01845 217.6
[M+NH4]+ 505.05955 216.8
[M+K]+ 525.98889 211.5
[M+H-H2O]+ 470.02299 199.7
[M+HCOO]- 532.02393 215.6
[M+CH3COO]- 546.03958 217.6
[M+Na-2H]- 508.00040 206.7
[M]+ 487.02518 215.2
[M]- 487.02628 215.2
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.