CID 3008300

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

Structural Information

Molecular Formula
C15H11ClN2O3
SMILES
CC1=CC(=O)N(N1C(=O)C2=CC=CO2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2O3/c1-10-8-14(19)18(12-5-2-4-11(16)9-12)17(10)15(20)13-6-3-7-21-13/h2-9H,1H3
InChIKey
BMUOKHNJTGAKPE-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1-(furan-2-carbonyl)-5-methylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.0458 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05308 165.0
[M+Na]+ 325.03502 177.8
[M-H]- 301.03852 174.8
[M+NH4]+ 320.07962 180.8
[M+K]+ 341.00896 173.5
[M+H-H2O]+ 285.04306 157.4
[M+HCOO]- 347.04400 185.0
[M+CH3COO]- 361.05965 178.9
[M+Na-2H]- 323.02047 166.2
[M]+ 302.04525 172.4
[M]- 302.04635 172.4
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.