CID 3058610

3-pyridinecarboxylic acid, 2-(phenylamino)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C19H23N3O2
SMILES
C1CCN(CC1)CCOC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O2/c23-19(24-15-14-22-12-5-2-6-13-22)17-10-7-11-20-18(17)21-16-8-3-1-4-9-16/h1,3-4,7-11H,2,5-6,12-15H2,(H,20,21)
InChIKey
NWXNNKJLZNMXMN-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-anilinopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 177.6
[M+Na]+ 348.168238 179.9
[M-H]- 324.171744 182.7
[M+NH4]+ 343.212843 187.1
[M+K]+ 364.142178 175.3
[M+H-H2O]+ 308.176280 165.9
[M+HCOO]- 370.177221 195.1
[M+CH3COO]- 384.192871 208.8
[M+Na-2H]- 346.153686 181.2
[M]+ 325.17847142 173.3
[M]- 325.17956858 173.3
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.