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]+ 291.149176 169.3
[M+Na]+ 313.131118 178.0
[M-H]- 289.134624 177.0
[M+NH4]+ 308.175723 184.0
[M+K]+ 329.105058 172.1
[M+H-H2O]+ 273.139160 159.9
[M+HCOO]- 335.140101 189.6
[M+CH3COO]- 349.155751 180.9
[M+Na-2H]- 311.116566 169.2
[M]+ 290.14135142 168.8
[M]- 290.14244858 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.