CID 297935

2,6-piperazinedione, 4-(3,4-dimethoxyphenethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H18N2O4
SMILES
COC1=C(C=C(C=C1)CCN2CC(=O)NC(=O)C2)OC
InChI
InChI=1S/C14H18N2O4/c1-19-11-4-3-10(7-12(11)20-2)5-6-16-8-13(17)15-14(18)9-16/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,17,18)
InChIKey
JECXVTBFHXMZLZ-UHFFFAOYSA-N
Compound name
4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

278.12665 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.133926 163.6
[M+Na]+ 301.115868 170.6
[M-H]- 277.119374 166.0
[M+NH4]+ 296.160473 176.3
[M+K]+ 317.089808 167.2
[M+H-H2O]+ 261.123910 154.8
[M+HCOO]- 323.124851 180.6
[M+CH3COO]- 337.140501 197.4
[M+Na-2H]- 299.101316 165.5
[M]+ 278.12610142 163.5
[M]- 278.12719858 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe