CID 16078801

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

Structural Information

Molecular Formula
C24H19Cl2N3O3
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C24H19Cl2N3O3/c25-17-6-10-19(11-7-17)28-23(31)21(22(30)27-15-14-16-4-2-1-3-5-16)24(32)29(28)20-12-8-18(26)9-13-20/h1-13,31H,14-15H2,(H,27,30)
InChIKey
ZQWCACVJBSGEHT-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-3-hydroxy-5-oxo-N-(2-phenylethyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

467.08035 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.08763 209.0
[M+Na]+ 490.06957 218.3
[M-H]- 466.07307 217.9
[M+NH4]+ 485.11417 216.4
[M+K]+ 506.04351 209.5
[M+H-H2O]+ 450.07761 198.3
[M+HCOO]- 512.07855 220.0
[M+CH3COO]- 526.09420 217.3
[M+Na-2H]- 488.05502 207.2
[M]+ 467.07980 213.9
[M]- 467.08090 213.9
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.