CID 6445279

1-piperazineacetic acid, 4-cinnamoyl-, 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]+ 303.170336 173.3
[M+Na]+ 325.152278 176.7
[M-H]- 301.155784 175.6
[M+NH4]+ 320.196883 184.8
[M+K]+ 341.126218 173.2
[M+H-H2O]+ 285.160320 163.5
[M+HCOO]- 347.161261 188.8
[M+CH3COO]- 361.176911 201.9
[M+Na-2H]- 323.137726 173.8
[M]+ 302.16251142 171.1
[M]- 302.16360858 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.