CID 3058620

3-pyridinecarboxylic acid, 2-((4-chlorophenyl)amino)-, 2-(diethylamino)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C18H22ClN3O2
SMILES
CCN(CC)CCOC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H22ClN3O2/c1-3-22(4-2)12-13-24-18(23)16-6-5-11-20-17(16)21-15-9-7-14(19)8-10-15/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)
InChIKey
GJKDFAKHTQDJIC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(4-chloroanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.14005 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14733 182.5
[M+Na]+ 370.12927 195.3
[M+NH4]+ 365.17387 189.5
[M+K]+ 386.10321 187.4
[M-H]- 346.13277 187.0
[M+Na-2H]- 368.11472 190.5
[M]+ 347.13950 185.8
[M]- 347.14060 185.8
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.