CID 54697641

4-hydroxy-2-methyl-n-2-thiazolyl-2h-(1)benzothieno(2,3-e)-1,2-thiazine-3-carboxamide dioxide

Structural Information

Molecular Formula
C15H11N3O4S3
SMILES
CN1C(=C(C2=C(S1(=O)=O)C3=CC=CC=C3S2)O)C(=O)NC4=NC=CS4
InChI
InChI=1S/C15H11N3O4S3/c1-18-10(14(20)17-15-16-6-7-23-15)11(19)12-13(25(18,21)22)8-4-2-3-5-9(8)24-12/h2-7,19H,1H3,(H,16,17,20)
InChIKey
NZUMVXBRMBADAJ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.99118 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.99846 182.0
[M+Na]+ 415.98040 195.0
[M-H]- 391.98390 187.2
[M+NH4]+ 411.02500 198.6
[M+K]+ 431.95434 188.1
[M+H-H2O]+ 375.98844 179.2
[M+HCOO]- 437.98938 188.9
[M+CH3COO]- 452.00503 192.5
[M+Na-2H]- 413.96585 185.6
[M]+ 392.99063 188.9
[M]- 392.99173 188.9
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