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]+ 361.131356 183.6
[M+Na]+ 383.113298 188.4
[M-H]- 359.116804 189.0
[M+NH4]+ 378.157903 193.2
[M+K]+ 399.087238 183.0
[M+H-H2O]+ 343.121340 172.5
[M+HCOO]- 405.122281 195.6
[M+CH3COO]- 419.137931 210.7
[M+Na-2H]- 381.098746 185.4
[M]+ 360.12353142 184.1
[M]- 360.12462858 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.