CID 6445277

1-piperazineacetamide, n,n-dipropyl-4-(3',4',5'-trimethoxycinnamoyl)-, maleate

Structural Information

Molecular Formula
C24H37N3O5
SMILES
CCCN(CCC)C(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C24H37N3O5/c1-6-10-26(11-7-2)23(29)18-25-12-14-27(15-13-25)22(28)9-8-19-16-20(30-3)24(32-5)21(17-19)31-4/h8-9,16-17H,6-7,10-15,18H2,1-5H3/b9-8+
InChIKey
JKVOXDZRVZMTCJ-CMDGGOBGSA-N
Compound name
N,N-dipropyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.27332 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.28060 211.5
[M+Na]+ 470.26254 213.5
[M-H]- 446.26604 215.1
[M+NH4]+ 465.30714 218.0
[M+K]+ 486.23648 211.5
[M+H-H2O]+ 430.27058 200.5
[M+HCOO]- 492.27152 226.6
[M+CH3COO]- 506.28717 239.0
[M+Na-2H]- 468.24799 206.7
[M]+ 447.27277 216.6
[M]- 447.27387 216.6
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.