CID 6449087

Piperazinone, 3-(2-(2,4-dimethylphenyl)-2-oxoethylidene)-1-methyl-

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC1=CC(=C(C=C1)C(=O)/C=C/2\C(=O)N(CCN2)C)C
InChI
InChI=1S/C15H18N2O2/c1-10-4-5-12(11(2)8-10)14(18)9-13-15(19)17(3)7-6-16-13/h4-5,8-9,16H,6-7H2,1-3H3/b13-9+
InChIKey
UXFWUUUFWRUKNL-UKTHLTGXSA-N
Compound name
(3E)-3-[2-(2,4-dimethylphenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 161.0
[M+Na]+ 281.126058 168.1
[M-H]- 257.129564 163.5
[M+NH4]+ 276.170663 174.7
[M+K]+ 297.099998 163.2
[M+H-H2O]+ 241.134100 152.9
[M+HCOO]- 303.135041 176.6
[M+CH3COO]- 317.150691 195.5
[M+Na-2H]- 279.111506 161.2
[M]+ 258.13629142 157.0
[M]- 258.13738858 157.0
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.