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 178.2
[M+Na]+ 359.11330 183.3
[M-H]- 335.11680 180.8
[M+NH4]+ 354.15790 189.5
[M+K]+ 375.08724 178.2
[M+H-H2O]+ 319.12134 169.2
[M+HCOO]- 381.12228 189.2
[M+CH3COO]- 395.13793 206.8
[M+Na-2H]- 357.09875 177.6
[M]+ 336.12353 178.6
[M]- 336.12463 178.6
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.