CID 6445279

4-cinnamoyl-1-piperazineacetic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCOC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H22N2O3/c1-2-22-17(21)14-18-10-12-19(13-11-18)16(20)9-8-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3/b9-8+
InChIKey
MWYNEGMYLOZHKP-CMDGGOBGSA-N
Compound name
ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 173.3
[M+Na]+ 325.15228 176.7
[M-H]- 301.15578 175.6
[M+NH4]+ 320.19688 184.8
[M+K]+ 341.12622 173.2
[M+H-H2O]+ 285.16032 163.5
[M+HCOO]- 347.16126 188.8
[M+CH3COO]- 361.17691 201.9
[M+Na-2H]- 323.13773 173.8
[M]+ 302.16251 171.1
[M]- 302.16361 171.1
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.