CID 5858992

2-methyl-1,4-bis(3-carbethoxy-1-oxo-2-propenyl)piperazine

Structural Information

Molecular Formula
C17H24N2O6
SMILES
CCOC(=O)/C=C/C(=O)N1CCN(C(C1)C)C(=O)/C=C/C(=O)OCC
InChI
InChI=1S/C17H24N2O6/c1-4-24-16(22)8-6-14(20)18-10-11-19(13(3)12-18)15(21)7-9-17(23)25-5-2/h6-9,13H,4-5,10-12H2,1-3H3/b8-6+,9-7+
InChIKey
XGKXDXRFGLBGBN-CDJQDVQCSA-N
Compound name
ethyl (E)-4-[4-[(E)-4-ethoxy-4-oxobut-2-enoyl]-3-methylpiperazin-1-yl]-4-oxobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.16342 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17070 182.4
[M+Na]+ 375.15264 188.2
[M+NH4]+ 370.19724 183.7
[M+K]+ 391.12658 186.0
[M-H]- 351.15614 177.8
[M+Na-2H]- 373.13809 180.4
[M]+ 352.16287 180.9
[M]- 352.16397 180.9
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

No patent data available for this compound.