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 170.6
[M+Na]+ 335.06722 178.6
[M-H]- 311.07072 172.8
[M+NH4]+ 330.11182 186.4
[M+K]+ 351.04116 177.3
[M+H-H2O]+ 295.07526 165.0
[M+HCOO]- 357.07620 182.0
[M+CH3COO]- 371.09185 201.4
[M+Na-2H]- 333.05267 170.2
[M]+ 312.07745 176.4
[M]- 312.07855 176.4
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.