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]+ 286.15502 166.8
[M+Na]+ 308.13696 171.7
[M-H]- 284.14046 173.1
[M+NH4]+ 303.18156 180.7
[M+K]+ 324.11090 169.5
[M+H-H2O]+ 268.14500 157.1
[M+HCOO]- 330.14594 191.4
[M+CH3COO]- 344.16159 208.5
[M+Na-2H]- 306.12241 172.1
[M]+ 285.14719 168.7
[M]- 285.14829 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.