CID 3058646

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

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCCN(C)C
InChI
InChI=1S/C18H23N3O3/c1-4-23-15-9-7-14(8-10-15)20-17-16(6-5-11-19-17)18(22)24-13-12-21(2)3/h5-11H,4,12-13H2,1-3H3,(H,19,20)
InChIKey
PVLNUGNNSRSIFZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-ethoxyanilino)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 179.0
[M+Na]+ 352.16317 183.7
[M-H]- 328.16667 185.2
[M+NH4]+ 347.20777 191.2
[M+K]+ 368.13711 181.8
[M+H-H2O]+ 312.17121 168.7
[M+HCOO]- 374.17215 203.0
[M+CH3COO]- 388.18780 217.8
[M+Na-2H]- 350.14862 182.5
[M]+ 329.17340 183.3
[M]- 329.17450 183.3
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.