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]+ 262.155016 163.0
[M+Na]+ 284.136958 166.3
[M-H]- 260.140464 162.4
[M+NH4]+ 279.181563 173.8
[M+K]+ 300.110898 161.9
[M+H-H2O]+ 244.145000 152.7
[M+HCOO]- 306.145941 177.2
[M+CH3COO]- 320.161591 190.7
[M+Na-2H]- 282.122406 166.4
[M]+ 261.14719142 157.9
[M]- 261.14828858 157.9
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.