CID 3073165

146948-28-9

Structural Information

Molecular Formula
C11H14N2O3S2
SMILES
CCOC(=O)C1=C2N(CCS1)C(=CS2)C(=O)NC
InChI
InChI=1S/C11H14N2O3S2/c1-3-16-11(15)8-10-13(4-5-17-8)7(6-18-10)9(14)12-2/h6H,3-5H2,1-2H3,(H,12,14)
InChIKey
HOVBUHVKFAIXPT-UHFFFAOYSA-N
Compound name
ethyl 3-(methylcarbamoyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05188 161.0
[M+Na]+ 309.03382 167.7
[M-H]- 285.03732 163.5
[M+NH4]+ 304.07842 178.7
[M+K]+ 325.00776 164.5
[M+H-H2O]+ 269.04186 155.4
[M+HCOO]- 331.04280 170.5
[M+CH3COO]- 345.05845 198.4
[M+Na-2H]- 307.01927 160.1
[M]+ 286.04405 164.0
[M]- 286.04515 164.0
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