CID 3058628

3-pyridinecarboxylic acid, 2-((2,4-dichlorophenyl)amino)-, 3-(dimethylamino)propyl ester, monohydrochloride

Structural Information

Molecular Formula
C17H19Cl2N3O2
SMILES
CN(C)CCCOC(=O)C1=C(N=CC=C1)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H19Cl2N3O2/c1-22(2)9-4-10-24-17(23)13-5-3-8-20-16(13)21-15-7-6-12(18)11-14(15)19/h3,5-8,11H,4,9-10H2,1-2H3,(H,20,21)
InChIKey
XVQCOMUYMWRAED-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-(2,4-dichloroanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.08542 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09270 183.9
[M+Na]+ 390.07464 197.8
[M+NH4]+ 385.11924 191.1
[M+K]+ 406.04858 189.5
[M-H]- 366.07814 188.3
[M+Na-2H]- 388.06009 191.7
[M]+ 367.08487 187.6
[M]- 367.08597 187.6
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.