CID 3058622

3-pyridinecarboxylic acid, 2-((4-chlorophenyl)amino)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C19H22ClN3O2
SMILES
C1CCN(CC1)CCOC(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN3O2/c20-15-6-8-16(9-7-15)22-18-17(5-4-10-21-18)19(24)25-14-13-23-11-2-1-3-12-23/h4-10H,1-3,11-14H2,(H,21,22)
InChIKey
CRJVLUYHWWFWJS-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-(4-chloroanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.14005 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.147326 184.3
[M+Na]+ 382.129268 188.4
[M-H]- 358.132774 189.6
[M+NH4]+ 377.173873 193.7
[M+K]+ 398.103208 182.3
[M+H-H2O]+ 342.137310 173.2
[M+HCOO]- 404.138251 197.2
[M+CH3COO]- 418.153901 213.6
[M+Na-2H]- 380.114716 186.7
[M]+ 359.13950142 182.8
[M]- 359.14059858 182.8
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.