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 184.3
[M+Na]+ 382.12927 188.4
[M-H]- 358.13277 189.6
[M+NH4]+ 377.17387 193.7
[M+K]+ 398.10321 182.3
[M+H-H2O]+ 342.13731 173.2
[M+HCOO]- 404.13825 197.2
[M+CH3COO]- 418.15390 213.6
[M+Na-2H]- 380.11472 186.7
[M]+ 359.13950 182.8
[M]- 359.14060 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.