CID 6479556

1-[(e)-3-(2-furyl)prop-2-enoyl]-5-methyl-2-phenyl-pyrazol-3-one

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC1=CC(=O)N(N1C(=O)/C=C/C2=CC=CO2)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-13-12-17(21)19(14-6-3-2-4-7-14)18(13)16(20)10-9-15-8-5-11-22-15/h2-12H,1H3/b10-9+
InChIKey
SILRTQPCOKBYTJ-MDZDMXLPSA-N
Compound name
1-[(E)-3-(furan-2-yl)prop-2-enoyl]-5-methyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 165.6
[M+Na]+ 317.08965 176.2
[M-H]- 293.09315 175.0
[M+NH4]+ 312.13425 180.5
[M+K]+ 333.06359 172.6
[M+H-H2O]+ 277.09769 157.3
[M+HCOO]- 339.09863 189.9
[M+CH3COO]- 353.11428 178.9
[M+Na-2H]- 315.07510 167.1
[M]+ 294.09988 170.4
[M]- 294.10098 170.4
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.