CID 6112957

5-methyl-4-(1-(4-methylphenyl)ethylidene)-2-phenyl-2,4-dihydro-3h-pyrazol-3-one

Structural Information

Molecular Formula
C19H18N2O
SMILES
CC1=CC=C(C=C1)/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)/C
InChI
InChI=1S/C19H18N2O/c1-13-9-11-16(12-10-13)14(2)18-15(3)20-21(19(18)22)17-7-5-4-6-8-17/h4-12H,1-3H3/b18-14-
InChIKey
LMOSQSYDXLAQPA-JXAWBTAJSA-N
Compound name
(4Z)-5-methyl-4-[1-(4-methylphenyl)ethylidene]-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1419 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 170.4
[M+Na]+ 313.13112 185.7
[M+NH4]+ 308.17572 178.2
[M+K]+ 329.10506 179.3
[M-H]- 289.13462 175.4
[M+Na-2H]- 311.11657 179.3
[M]+ 290.14135 174.0
[M]- 290.14245 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.