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 169.3
[M+Na]+ 313.13112 178.0
[M-H]- 289.13462 177.0
[M+NH4]+ 308.17572 184.0
[M+K]+ 329.10506 172.1
[M+H-H2O]+ 273.13916 159.9
[M+HCOO]- 335.14010 189.6
[M+CH3COO]- 349.15575 180.9
[M+Na-2H]- 311.11657 169.2
[M]+ 290.14135 168.8
[M]- 290.14245 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.