CID 16078806

Chembl217127

Structural Information

Molecular Formula
C22H17N3O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=C(N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C22H17N3O3/c26-20(23-16-10-4-1-5-11-16)19-21(27)24(17-12-6-2-7-13-17)25(22(19)28)18-14-8-3-9-15-18/h1-15,27H,(H,23,26)
InChIKey
WUGZVKFZFAGOLI-UHFFFAOYSA-N
Compound name
3-hydroxy-5-oxo-N,1,2-triphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.12698 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.134256 186.5
[M+Na]+ 394.116198 194.1
[M-H]- 370.119704 196.3
[M+NH4]+ 389.160803 195.8
[M+K]+ 410.090138 187.5
[M+H-H2O]+ 354.124240 175.4
[M+HCOO]- 416.125181 208.1
[M+CH3COO]- 430.140831 196.4
[M+Na-2H]- 392.101646 188.6
[M]+ 371.12643142 186.0
[M]- 371.12752858 186.0
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.