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]+ 360.14733 185.3
[M+Na]+ 382.12927 199.0
[M+NH4]+ 377.17387 192.6
[M+K]+ 398.10321 190.4
[M-H]- 358.13277 190.7
[M+Na-2H]- 380.11472 194.1
[M]+ 359.13950 189.0
[M]- 359.14060 189.0
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.