CID 212693

Brn 0701208

Structural Information

Molecular Formula
C22H17N3O2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC=C3)C=NC4=CC=C(C=C4)O
InChI
InChI=1S/C22H17N3O2/c26-19-13-11-17(12-14-19)23-15-20-21(16-7-3-1-4-8-16)24-25(22(20)27)18-9-5-2-6-10-18/h1-15,24,26H
InChIKey
ZXIIUYJMUQQHQD-UHFFFAOYSA-N
Compound name
4-[(4-hydroxyphenyl)iminomethyl]-2,5-diphenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 186.6
[M+Na]+ 378.12130 203.0
[M+NH4]+ 373.16590 193.6
[M+K]+ 394.09524 195.7
[M-H]- 354.12480 194.0
[M+Na-2H]- 376.10675 198.4
[M]+ 355.13153 191.0
[M]- 355.13263 191.0
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.