CID 212699

24665-77-8

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]+ 372.13426 187.4
[M+Na]+ 394.11620 196.2
[M-H]- 370.11970 197.5
[M+NH4]+ 389.16080 197.1
[M+K]+ 410.09014 189.0
[M+H-H2O]+ 354.12424 176.2
[M+HCOO]- 416.12518 209.9
[M+CH3COO]- 430.14083 197.7
[M+Na-2H]- 392.10165 189.7
[M]+ 371.12643 187.8
[M]- 371.12753 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.