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 167.4
[M+Na]+ 308.13696 179.4
[M+NH4]+ 303.18156 174.5
[M+K]+ 324.11090 172.7
[M-H]- 284.14046 172.0
[M+Na-2H]- 306.12241 176.1
[M]+ 285.14719 170.2
[M]- 285.14829 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.