CID 3058614

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

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CN(C)CCCOC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H23N3O3/c1-21(2)12-5-13-24-18(22)16-6-4-11-19-17(16)20-14-7-9-15(23-3)10-8-14/h4,6-11H,5,12-13H2,1-3H3,(H,19,20)
InChIKey
GHHBVSSPXUVALK-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-(4-methoxyanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.17395 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 179.3
[M+Na]+ 352.16317 190.7
[M+NH4]+ 347.20777 185.4
[M+K]+ 368.13711 184.3
[M-H]- 328.16667 183.3
[M+Na-2H]- 350.14862 186.8
[M]+ 329.17340 181.8
[M]- 329.17450 181.8
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.