CID 3008301

1-(furan-2-carbonyl)-5-methyl-2-phenyl-pyrazol-3-one

Structural Information

Molecular Formula
C15H12N2O3
SMILES
CC1=CC(=O)N(N1C(=O)C2=CC=CO2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O3/c1-11-10-14(18)17(12-6-3-2-4-7-12)16(11)15(19)13-8-5-9-20-13/h2-10H,1H3
InChIKey
VPSAMRWHNPLFOH-UHFFFAOYSA-N
Compound name
1-(furan-2-carbonyl)-5-methyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.08478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 156.7
[M+Na]+ 291.07400 167.9
[M-H]- 267.07750 166.4
[M+NH4]+ 286.11860 172.7
[M+K]+ 307.04794 165.3
[M+H-H2O]+ 251.08204 148.8
[M+HCOO]- 313.08298 181.6
[M+CH3COO]- 327.09863 170.8
[M+Na-2H]- 289.05945 159.3
[M]+ 268.08423 161.6
[M]- 268.08533 161.6
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.