CID 16078796

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

Structural Information

Molecular Formula
C22H15Cl2N3O4
SMILES
C1=CC(=CC=C1NC(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O)O
InChI
InChI=1S/C22H15Cl2N3O4/c23-13-1-7-16(8-2-13)26-21(30)19(20(29)25-15-5-11-18(28)12-6-15)22(31)27(26)17-9-3-14(24)4-10-17/h1-12,28,30H,(H,25,29)
InChIKey
AKQLYICWRVBVGU-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-3-hydroxy-N-(4-hydroxyphenyl)-5-oxopyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.04398 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.05126 202.3
[M+Na]+ 478.03320 212.7
[M-H]- 454.03670 210.9
[M+NH4]+ 473.07780 209.8
[M+K]+ 494.00714 204.5
[M+H-H2O]+ 438.04124 192.7
[M+HCOO]- 500.04218 212.8
[M+CH3COO]- 514.05783 211.1
[M+Na-2H]- 476.01865 200.8
[M]+ 455.04343 206.7
[M]- 455.04453 206.7
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.