CID 17756939

Dtxsid6046133

Structural Information

Molecular Formula
C13H10ClN3O4S2
SMILES
CN1C(C(=O)C2=C(S1(=O)=O)C=C(S2)Cl)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,10H,1H3,(H,15,16,19)
InChIKey
QOFQTBTZCJVITI-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-1,1,4-trioxo-N-pyridin-2-yl-3H-thieno[2,3-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

230
References

3031
Patents

370.98013 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.98741 177.6
[M+Na]+ 393.96935 189.2
[M+NH4]+ 389.01395 185.5
[M+K]+ 409.94329 179.9
[M-H]- 369.97285 179.3
[M+Na-2H]- 391.95480 183.0
[M]+ 370.97958 180.8
[M]- 370.98068 180.8
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