CID 356068

4-((4-methoxyphenyl)methylene)-3-methyl-1-phenyl-2-pyrazolin-5-one

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c1-13-17(12-14-8-10-16(22-2)11-9-14)18(21)20(19-13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey
WGISVRVYQCZWOR-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

85
Patents

292.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 169.6
[M+Na]+ 315.11042 185.0
[M+NH4]+ 310.15502 177.1
[M+K]+ 331.08436 178.6
[M-H]- 291.11392 174.4
[M+Na-2H]- 313.09587 178.7
[M]+ 292.12065 173.2
[M]- 292.12175 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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