CID 336995

78523-92-9

Structural Information

Molecular Formula
C16H14N2O3
SMILES
C1=CC=C(C=C1)C(C2=NNC(=O)C2(C3=CC=CC=C3)O)O
InChI
InChI=1S/C16H14N2O3/c19-13(11-7-3-1-4-8-11)14-16(21,15(20)18-17-14)12-9-5-2-6-10-12/h1-10,13,19,21H,(H,18,20)
InChIKey
OBJJCWCILVMRAY-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[hydroxy(phenyl)methyl]-4-phenyl-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.9
[M+Na]+ 305.08965 171.1
[M-H]- 281.09315 167.7
[M+NH4]+ 300.13425 178.0
[M+K]+ 321.06359 165.5
[M+H-H2O]+ 265.09769 155.6
[M+HCOO]- 327.09863 181.0
[M+CH3COO]- 341.11428 174.1
[M+Na-2H]- 303.07510 166.9
[M]+ 282.09988 160.1
[M]- 282.10098 160.1
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.