CID 3058612

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

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CN(C)CCOC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2
InChI
InChI=1S/C16H19N3O2/c1-19(2)11-12-21-16(20)14-9-6-10-17-15(14)18-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,17,18)
InChIKey
JEIGTSLJSTYKJW-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-anilinopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.155016 166.8
[M+Na]+ 308.136958 171.7
[M-H]- 284.140464 173.1
[M+NH4]+ 303.181563 180.7
[M+K]+ 324.110898 169.5
[M+H-H2O]+ 268.145000 157.1
[M+HCOO]- 330.145941 191.4
[M+CH3COO]- 344.161591 208.5
[M+Na-2H]- 306.122406 172.1
[M]+ 285.14719142 168.7
[M]- 285.14828858 168.7
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.