CID 15225313

154127-41-0

Structural Information

Molecular Formula
C10H14N2O6S3
SMILES
COCCCN1CC(=O)C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N
InChI
InChI=1S/C10H14N2O6S3/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5H,2-4,6H2,1H3,(H2,11,14,15)
InChIKey
VCKBAMGUANTCPO-UHFFFAOYSA-N
Compound name
2-(3-methoxypropyl)-1,1,4-trioxo-3H-thieno[3,2-e]thiazine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

354.0014 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00868 173.2
[M+Na]+ 376.99062 181.8
[M-H]- 352.99412 174.0
[M+NH4]+ 372.03522 188.9
[M+K]+ 392.96456 176.0
[M+H-H2O]+ 336.99866 169.5
[M+HCOO]- 398.99960 177.7
[M+CH3COO]- 413.01525 206.4
[M+Na-2H]- 374.97607 176.7
[M]+ 354.00085 178.1
[M]- 354.00195 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe