CID 201520

6139-73-7

Structural Information

Molecular Formula
C22H17N3O2
SMILES
C1=CC=C(C=C1)N=CC2=C(N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C22H17N3O2/c26-21-20(16-23-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)24(21)18-12-6-2-7-13-18/h1-16,26H
InChIKey
FVKBFPOZPJCQBR-UHFFFAOYSA-N
Compound name
5-hydroxy-1,2-diphenyl-4-(phenyliminomethyl)pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13208 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 184.2
[M+Na]+ 378.12130 192.8
[M-H]- 354.12480 195.1
[M+NH4]+ 373.16590 195.0
[M+K]+ 394.09524 185.5
[M+H-H2O]+ 338.12934 172.6
[M+HCOO]- 400.13028 208.0
[M+CH3COO]- 414.14593 194.9
[M+Na-2H]- 376.10675 187.4
[M]+ 355.13153 184.5
[M]- 355.13263 184.5
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

patents stripe