CID 212699

3,5-pyrazolidinedione, 1,2-diphenyl-4-(p-hydroxyanilinomethylene)-

Structural Information

Molecular Formula
C22H17N3O3
SMILES
C1=CC=C(C=C1)N2C(=C(C(=O)N2C3=CC=CC=C3)C=NC4=CC=C(C=C4)O)O
InChI
InChI=1S/C22H17N3O3/c26-19-13-11-16(12-14-19)23-15-20-21(27)24(17-7-3-1-4-8-17)25(22(20)28)18-9-5-2-6-10-18/h1-15,26-27H
InChIKey
GMCRNOBFTULMSY-UHFFFAOYSA-N
Compound name
5-hydroxy-4-[(4-hydroxyphenyl)iminomethyl]-1,2-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.12698 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.134256 187.4
[M+Na]+ 394.116198 196.2
[M-H]- 370.119704 197.5
[M+NH4]+ 389.160803 197.1
[M+K]+ 410.090138 189.0
[M+H-H2O]+ 354.124240 176.2
[M+HCOO]- 416.125181 209.9
[M+CH3COO]- 430.140831 197.7
[M+Na-2H]- 392.101646 189.7
[M]+ 371.12643142 187.8
[M]- 371.12752858 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.