CID 6435334

Ketone, 4-pyrrolidinylcarbonylmethylpiperazinyl 3,4,5-trimethoxycinnamyl, maleate

Structural Information

Molecular Formula
C23H33N3O5
SMILES
COC1=C(C(=C(C=C1)/C=C/CC(=O)N2CCN(CC2)CC(=O)N3CCCC3)OC)OC
InChI
InChI=1S/C23H33N3O5/c1-29-19-10-9-18(22(30-2)23(19)31-3)7-6-8-20(27)26-15-13-24(14-16-26)17-21(28)25-11-4-5-12-25/h6-7,9-10H,4-5,8,11-17H2,1-3H3/b7-6+
InChIKey
RJPXBNNJVQJVMH-VOTSOKGWSA-N
Compound name
(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.24203 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.24931 206.1
[M+Na]+ 454.23125 208.1
[M-H]- 430.23475 210.2
[M+NH4]+ 449.27585 212.7
[M+K]+ 470.20519 204.7
[M+H-H2O]+ 414.23929 194.9
[M+HCOO]- 476.24023 217.8
[M+CH3COO]- 490.25588 227.0
[M+Na-2H]- 452.21670 199.6
[M]+ 431.24148 205.9
[M]- 431.24258 205.9
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.