CID 16078791

Chembl2236494

Structural Information

Molecular Formula
C23H17Cl2N3O4
SMILES
COC1=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/C23H17Cl2N3O4/c1-32-19-12-6-16(7-13-19)26-21(29)20-22(30)27(17-8-2-14(24)3-9-17)28(23(20)31)18-10-4-15(25)5-11-18/h2-13,30H,1H3,(H,26,29)
InChIKey
RFJVERQNBJPWAB-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-3-hydroxy-N-(4-methoxyphenyl)-5-oxopyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.0596 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.06688 207.1
[M+Na]+ 492.04882 217.5
[M-H]- 468.05232 216.8
[M+NH4]+ 487.09342 214.7
[M+K]+ 508.02276 209.9
[M+H-H2O]+ 452.05686 196.8
[M+HCOO]- 514.05780 218.7
[M+CH3COO]- 528.07345 216.1
[M+Na-2H]- 490.03427 205.4
[M]+ 469.05905 213.5
[M]- 469.06015 213.5
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.