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]+ 372.13426 186.5
[M+Na]+ 394.11620 194.1
[M-H]- 370.11970 196.3
[M+NH4]+ 389.16080 195.8
[M+K]+ 410.09014 187.5
[M+H-H2O]+ 354.12424 175.4
[M+HCOO]- 416.12518 208.1
[M+CH3COO]- 430.14083 196.4
[M+Na-2H]- 392.10165 188.6
[M]+ 371.12643 186.0
[M]- 371.12753 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.