CID 3058640

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

Structural Information

Molecular Formula
C16H17ClN2O3
SMILES
CN(C)CCOC(=O)C1=C(N=CC=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H17ClN2O3/c1-19(2)10-11-21-16(20)14-4-3-9-18-15(14)22-13-7-5-12(17)6-8-13/h3-9H,10-11H2,1-2H3
InChIKey
KVLCOKWMDUUDGM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-chlorophenoxy)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.09277 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10005 171.7
[M+Na]+ 343.08199 185.8
[M+NH4]+ 338.12659 179.0
[M+K]+ 359.05593 178.5
[M-H]- 319.08549 175.6
[M+Na-2H]- 341.06744 180.2
[M]+ 320.09222 175.1
[M]- 320.09332 175.1
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.