CID 135499339

Nsc652193

Structural Information

Molecular Formula
C19H16N2O3
SMILES
CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2O)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H16N2O3/c1-13-16(12-15-9-5-6-10-17(15)22)19(24)21(20-13)18(23)11-14-7-3-2-4-8-14/h2-10,12,22H,11H2,1H3/b16-12-
InChIKey
GZGQOCYODSZNHY-VBKFSLOCSA-N
Compound name
(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 175.3
[M+Na]+ 343.10532 183.5
[M-H]- 319.10882 181.8
[M+NH4]+ 338.14992 187.8
[M+K]+ 359.07926 177.5
[M+H-H2O]+ 303.11336 166.0
[M+HCOO]- 365.11430 194.7
[M+CH3COO]- 379.12995 204.1
[M+Na-2H]- 341.09077 175.0
[M]+ 320.11555 175.0
[M]- 320.11665 175.0
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.