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 161.0
[M+Na]+ 281.12606 168.1
[M-H]- 257.12956 163.5
[M+NH4]+ 276.17066 174.7
[M+K]+ 297.10000 163.2
[M+H-H2O]+ 241.13410 152.9
[M+HCOO]- 303.13504 176.6
[M+CH3COO]- 317.15069 195.5
[M+Na-2H]- 279.11151 161.2
[M]+ 258.13629 157.0
[M]- 258.13739 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.