CID 6445286

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

Structural Information

Molecular Formula
C17H21FN2O3
SMILES
CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C17H21FN2O3/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
NESZXVZYJVVHDQ-VMPITWQZSA-N
Compound name
ethyl 2-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15363 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16091 176.0
[M+Na]+ 343.14285 180.4
[M-H]- 319.14635 177.3
[M+NH4]+ 338.18745 187.1
[M+K]+ 359.11679 176.5
[M+H-H2O]+ 303.15089 165.5
[M+HCOO]- 365.15183 190.5
[M+CH3COO]- 379.16748 205.8
[M+Na-2H]- 341.12830 175.2
[M]+ 320.15308 173.3
[M]- 320.15418 173.3
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.