CID 165665043

2803845-83-0

Structural Information

Molecular Formula
C13H16N2O5S
SMILES
CC(C)(C)OC(=O)N1CC2=C(C(=O)C1)SC(=N2)C(=O)OC
InChI
InChI=1S/C13H16N2O5S/c1-13(2,3)20-12(18)15-5-7-9(8(16)6-15)21-10(14-7)11(17)19-4/h5-6H2,1-4H3
InChIKey
UWOHUUBXDSJKLW-UHFFFAOYSA-N
Compound name
5-O-tert-butyl 2-O-methyl 7-oxo-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.078 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08528 171.4
[M+Na]+ 335.06722 179.3
[M+NH4]+ 330.11182 176.3
[M+K]+ 351.04116 176.8
[M-H]- 311.07072 168.8
[M+Na-2H]- 333.05267 171.4
[M]+ 312.07745 171.8
[M]- 312.07855 171.8
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.