CID 16078804

Chembl384106

Structural Information

Molecular Formula
C22H16ClN3O3
SMILES
C1=CC=C(C=C1)N2C(=C(C(=O)N2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C22H16ClN3O3/c23-15-11-13-16(14-12-15)24-20(27)19-21(28)25(17-7-3-1-4-8-17)26(22(19)29)18-9-5-2-6-10-18/h1-14,28H,(H,24,27)
InChIKey
XBZDZUQDUMIIPV-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-hydroxy-5-oxo-1,2-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.088 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09528 194.2
[M+Na]+ 428.07722 203.4
[M-H]- 404.08072 204.1
[M+NH4]+ 423.12182 203.4
[M+K]+ 444.05116 195.5
[M+H-H2O]+ 388.08526 183.5
[M+HCOO]- 450.08620 211.2
[M+CH3COO]- 464.10185 204.0
[M+Na-2H]- 426.06267 194.9
[M]+ 405.08745 196.6
[M]- 405.08855 196.6
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.