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 163.0
[M+Na]+ 284.13696 166.3
[M-H]- 260.14046 162.4
[M+NH4]+ 279.18156 173.8
[M+K]+ 300.11090 161.9
[M+H-H2O]+ 244.14500 152.7
[M+HCOO]- 306.14594 177.2
[M+CH3COO]- 320.16159 190.7
[M+Na-2H]- 282.12241 166.4
[M]+ 261.14719 157.9
[M]- 261.14829 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.