CID 5288859

(4s-trans)-4-(methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide

Structural Information

Molecular Formula
C9H14N2O4S3
SMILES
C[C@H]1C[C@@H](C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)NC
InChI
InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7-/m0/s1
InChIKey
PYXFWOIZPYXNRU-FSPLSTOPSA-N
Compound name
(4S,6S)-6-methyl-4-(methylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

72
Patents

310.01157 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01885 162.5
[M+Na]+ 333.00079 171.2
[M-H]- 309.00429 164.5
[M+NH4]+ 328.04539 181.1
[M+K]+ 348.97473 164.8
[M+H-H2O]+ 293.00883 159.0
[M+HCOO]- 355.00977 168.4
[M+CH3COO]- 369.02542 202.4
[M+Na-2H]- 330.98624 166.5
[M]+ 310.01102 163.9
[M]- 310.01212 163.9
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