CID 16078792

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

Structural Information

Molecular Formula
C23H14Cl2N4O3
SMILES
C1=CC(=CC=C1C#N)NC(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C23H14Cl2N4O3/c24-15-3-9-18(10-4-15)28-22(31)20(21(30)27-17-7-1-14(13-26)2-8-17)23(32)29(28)19-11-5-16(25)6-12-19/h1-12,31H,(H,27,30)
InChIKey
XVQIGDYPRCTJHK-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-N-(4-cyanophenyl)-3-hydroxy-5-oxopyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.04428 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.05156 213.3
[M+Na]+ 487.03350 225.8
[M-H]- 463.03700 219.3
[M+NH4]+ 482.07810 219.5
[M+K]+ 503.00744 215.0
[M+H-H2O]+ 447.04154 196.6
[M+HCOO]- 509.04248 221.4
[M+CH3COO]- 523.05813 219.9
[M+Na-2H]- 485.01895 210.1
[M]+ 464.04373 211.8
[M]- 464.04483 211.8
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.