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 180.8
[M+Na]+ 375.15264 184.4
[M-H]- 351.15614 180.3
[M+NH4]+ 370.19724 190.9
[M+K]+ 391.12658 182.9
[M+H-H2O]+ 335.16068 172.8
[M+HCOO]- 397.16162 194.5
[M+CH3COO]- 411.17727 211.3
[M+Na-2H]- 373.13809 176.8
[M]+ 352.16287 182.9
[M]- 352.16397 182.9
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.