CID 16078795

4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-pyrazole-4-carbonyl]amino]benzoic acid

Structural Information

Molecular Formula
C23H15Cl2N3O5
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C23H15Cl2N3O5/c24-14-3-9-17(10-4-14)27-21(30)19(22(31)28(27)18-11-5-15(25)6-12-18)20(29)26-16-7-1-13(2-8-16)23(32)33/h1-12,30H,(H,26,29)(H,32,33)
InChIKey
LMMJARAJOHOHMZ-UHFFFAOYSA-N
Compound name
4-[[1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxopyrazole-4-carbonyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

483.03888 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.04616 206.5
[M+Na]+ 506.02810 216.1
[M-H]- 482.03160 215.3
[M+NH4]+ 501.07270 212.7
[M+K]+ 522.00204 208.8
[M+H-H2O]+ 466.03614 197.1
[M+HCOO]- 528.03708 216.3
[M+CH3COO]- 542.05273 214.9
[M+Na-2H]- 504.01355 204.0
[M]+ 483.03833 211.6
[M]- 483.03943 211.6
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.