CID 9926764

(4s)-6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol

Structural Information

Molecular Formula
C10H14ClNO4S2
SMILES
COCCCN1C[C@H](C2=C(S1(=O)=O)SC(=C2)Cl)O
InChI
InChI=1S/C10H14ClNO4S2/c1-16-4-2-3-12-6-8(13)7-5-9(11)17-10(7)18(12,14)15/h5,8,13H,2-4,6H2,1H3/t8-/m1/s1
InChIKey
FMNGDEKOOMHKNT-MRVPVSSYSA-N
Compound name
(4S)-6-chloro-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

311.00528 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01256 159.4
[M+Na]+ 333.99450 170.0
[M-H]- 309.99800 161.5
[M+NH4]+ 329.03910 179.1
[M+K]+ 349.96844 164.7
[M+H-H2O]+ 294.00254 156.8
[M+HCOO]- 356.00348 164.6
[M+CH3COO]- 370.01913 195.6
[M+Na-2H]- 331.97995 160.3
[M]+ 311.00473 166.6
[M]- 311.00583 166.6
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