CID 16078785

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

Structural Information

Molecular Formula
C22H15Cl2N3O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C22H15Cl2N3O3/c23-14-6-10-17(11-7-14)26-21(29)19(20(28)25-16-4-2-1-3-5-16)22(30)27(26)18-12-8-15(24)9-13-18/h1-13,29H,(H,25,28)
InChIKey
RBUKTDFRZJYVGA-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-N-phenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.04904 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.05632 200.4
[M+Na]+ 462.03826 210.7
[M-H]- 438.04176 209.7
[M+NH4]+ 457.08286 209.0
[M+K]+ 478.01220 202.2
[M+H-H2O]+ 422.04630 190.1
[M+HCOO]- 484.04724 212.1
[M+CH3COO]- 498.06289 209.6
[M+Na-2H]- 460.02371 199.6
[M]+ 439.04849 204.7
[M]- 439.04959 204.7
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.