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]+ 313.085276 170.6
[M+Na]+ 335.067218 178.6
[M-H]- 311.070724 172.8
[M+NH4]+ 330.111823 186.4
[M+K]+ 351.041158 177.3
[M+H-H2O]+ 295.075260 165.0
[M+HCOO]- 357.076201 182.0
[M+CH3COO]- 371.091851 201.4
[M+Na-2H]- 333.052666 170.2
[M]+ 312.07745142 176.4
[M]- 312.07854858 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.