CID 6444446

3-pyridineacrylic acid, 2-(1-piperazinyl)ethyl ester, trihydrochloride

Structural Information

Molecular Formula
C14H19N3O2
SMILES
C1CN(CCN1)CCOC(=O)/C=C/C2=CN=CC=C2
InChI
InChI=1S/C14H19N3O2/c18-14(4-3-13-2-1-5-16-12-13)19-11-10-17-8-6-15-7-9-17/h1-5,12,15H,6-11H2/b4-3+
InChIKey
UBXZDQNMHWJUOO-ONEGZZNKSA-N
Compound name
2-piperazin-1-ylethyl (E)-3-pyridin-3-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.14774 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 163.6
[M+Na]+ 284.13696 174.3
[M+NH4]+ 279.18156 169.3
[M+K]+ 300.11090 167.8
[M-H]- 260.14046 164.2
[M+Na-2H]- 282.12241 169.0
[M]+ 261.14719 164.8
[M]- 261.14829 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.