CID 6445260

1-piperazineacetic acid, 4-(3,4-methylenedioxycinnamoyl)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H22N2O5
SMILES
CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C18H22N2O5/c1-2-23-18(22)12-19-7-9-20(10-8-19)17(21)6-4-14-3-5-15-16(11-14)25-13-24-15/h3-6,11H,2,7-10,12-13H2,1H3/b6-4+
InChIKey
BLOBNGQNUDPMHS-GQCTYLIASA-N
Compound name
ethyl 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16014 182.2
[M+Na]+ 369.14208 186.3
[M-H]- 345.14558 187.0
[M+NH4]+ 364.18668 192.1
[M+K]+ 385.11602 185.4
[M+H-H2O]+ 329.15012 173.3
[M+HCOO]- 391.15106 195.0
[M+CH3COO]- 405.16671 209.0
[M+Na-2H]- 367.12753 182.1
[M]+ 346.15231 183.0
[M]- 346.15341 183.0
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.