CID 6449087

178408-17-8

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]+ 259.14412 162.1
[M+Na]+ 281.12606 174.4
[M+NH4]+ 276.17066 168.3
[M+K]+ 297.10000 168.3
[M-H]- 257.12956 163.7
[M+Na-2H]- 279.11151 166.8
[M]+ 258.13629 164.0
[M]- 258.13739 164.0
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.