CID 6445262

4-(p-chlorocinnamoyl)-1-piperazineacetic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H21ClN2O3
SMILES
CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H21ClN2O3/c1-2-23-17(22)13-19-9-11-20(12-10-19)16(21)8-5-14-3-6-15(18)7-4-14/h3-8H,2,9-13H2,1H3/b8-5+
InChIKey
HBNWWEQWRSFZNH-VMPITWQZSA-N
Compound name
ethyl 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12408 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13136 177.9
[M+Na]+ 359.11330 189.6
[M+NH4]+ 354.15790 183.7
[M+K]+ 375.08724 182.8
[M-H]- 335.11680 179.1
[M+Na-2H]- 357.09875 182.5
[M]+ 336.12353 179.9
[M]- 336.12463 179.9
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.