CID 3058642

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

Structural Information

Molecular Formula
C19H21ClN2O3
SMILES
C1CCN(CC1)CCOC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2O3/c20-15-6-8-16(9-7-15)25-18-17(5-4-10-21-18)19(23)24-14-13-22-11-2-1-3-12-22/h4-10H,1-3,11-14H2
InChIKey
MHHZIZYBGSYCEL-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-(4-chlorophenoxy)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12408 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13136 183.6
[M+Na]+ 383.11330 188.4
[M-H]- 359.11680 189.0
[M+NH4]+ 378.15790 193.2
[M+K]+ 399.08724 183.0
[M+H-H2O]+ 343.12134 172.5
[M+HCOO]- 405.12228 195.6
[M+CH3COO]- 419.13793 210.7
[M+Na-2H]- 381.09875 185.4
[M]+ 360.12353 184.1
[M]- 360.12463 184.1
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.