CID 16078793

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

Structural Information

Molecular Formula
C22H21Cl2N3O3
SMILES
C1CCC(CC1)NC(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C22H21Cl2N3O3/c23-14-6-10-17(11-7-14)26-21(29)19(20(28)25-16-4-2-1-3-5-16)22(30)27(26)18-12-8-15(24)9-13-18/h6-13,16,29H,1-5H2,(H,25,28)
InChIKey
YOUMBMJKZVVCIC-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)-N-cyclohexyl-3-hydroxy-5-oxopyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.096 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.10328 203.5
[M+Na]+ 468.08522 210.9
[M-H]- 444.08872 211.6
[M+NH4]+ 463.12982 211.7
[M+K]+ 484.05916 202.9
[M+H-H2O]+ 428.09326 193.3
[M+HCOO]- 490.09420 211.1
[M+CH3COO]- 504.10985 211.2
[M+Na-2H]- 466.07067 199.9
[M]+ 445.09545 203.6
[M]- 445.09655 203.6
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.