CID 24841972

E-1-(3,4-dioxymethylenecinnamoyl)-4-((4-pyrrolidinocarbonyl)butyl)piperazine maleate

Structural Information

Molecular Formula
C23H31N3O4
SMILES
C1CCN(C1)C(=O)CCCCN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C23H31N3O4/c27-22(25-11-3-4-12-25)5-1-2-10-24-13-15-26(16-14-24)23(28)9-7-19-6-8-20-21(17-19)30-18-29-20/h6-9,17H,1-5,10-16,18H2/b9-7+
InChIKey
VUELOBPJNFDCDE-VQHVLOKHSA-N
Compound name
5-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.23145 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.23873 201.8
[M+Na]+ 436.22067 209.6
[M+NH4]+ 431.26527 206.3
[M+K]+ 452.19461 208.3
[M-H]- 412.22417 205.6
[M+Na-2H]- 434.20612 202.0
[M]+ 413.23090 203.4
[M]- 413.23200 203.4
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.