CID 6445282

1-piperazineacetic acid, 4-(p-methoxycinnamoyl)-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H24N2O4/c1-3-24-18(22)14-19-10-12-20(13-11-19)17(21)9-6-15-4-7-16(23-2)8-5-15/h4-9H,3,10-14H2,1-2H3/b9-6+
InChIKey
KQPQQPLISRVXET-RMKNXTFCSA-N
Compound name
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.180876 180.1
[M+Na]+ 355.162818 183.8
[M-H]- 331.166324 182.6
[M+NH4]+ 350.207423 190.6
[M+K]+ 371.136758 180.9
[M+H-H2O]+ 315.170860 170.2
[M+HCOO]- 377.171801 195.5
[M+CH3COO]- 391.187451 208.2
[M+Na-2H]- 353.148266 179.5
[M]+ 332.17305142 180.2
[M]- 332.17414858 180.2
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.