CID 24844485

Methyl 3-(2-acetylthiomethylpropionamido)picolinate

Structural Information

Molecular Formula
C13H16N2O4S
SMILES
CC(=O)SC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)OC
InChI
InChI=1S/C13H16N2O4S/c1-8(16)20-13(2,3)12(18)15-9-6-5-7-14-10(9)11(17)19-4/h5-7H,1-4H3,(H,15,18)
InChIKey
UZMKNQLJMKVDIC-UHFFFAOYSA-N
Compound name
methyl 3-[(2-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.08307 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09035 167.8
[M+Na]+ 319.07229 175.9
[M+NH4]+ 314.11689 172.5
[M+K]+ 335.04623 171.4
[M-H]- 295.07579 166.5
[M+Na-2H]- 317.05774 170.6
[M]+ 296.08252 168.6
[M]- 296.08362 168.6
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

patents stripe