CID 6519767

4-((5-(2-chlorophenyl)furan-2-yl)methylene)-3-methyl-1-phenyl-1h-pyrazol-5(4h)-one

Structural Information

Molecular Formula
C21H15ClN2O2
SMILES
CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H15ClN2O2/c1-14-18(21(25)24(23-14)15-7-3-2-4-8-15)13-16-11-12-20(26-16)17-9-5-6-10-19(17)22/h2-13H,1H3/b18-13+
InChIKey
XQFPXOWDQAYSTM-QGOAFFKASA-N
Compound name
(4E)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.0822 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08948 187.1
[M+Na]+ 385.07142 197.9
[M-H]- 361.07492 198.9
[M+NH4]+ 380.11602 199.9
[M+K]+ 401.04536 191.0
[M+H-H2O]+ 345.07946 177.7
[M+HCOO]- 407.08040 204.2
[M+CH3COO]- 421.09605 198.6
[M+Na-2H]- 383.05687 185.1
[M]+ 362.08165 190.6
[M]- 362.08275 190.6
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.