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]+ 333.18088 180.1
[M+Na]+ 355.16282 183.8
[M-H]- 331.16632 182.6
[M+NH4]+ 350.20742 190.6
[M+K]+ 371.13676 180.9
[M+H-H2O]+ 315.17086 170.2
[M+HCOO]- 377.17180 195.5
[M+CH3COO]- 391.18745 208.2
[M+Na-2H]- 353.14827 179.5
[M]+ 332.17305 180.2
[M]- 332.17415 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.