CID 54697642

Dtxsid70225369

Structural Information

Molecular Formula
C17H15N3O4S3
SMILES
CC1=C(SC(=N1)NC(=O)C2=C(C3=C(C4=CC=CC=C4S3)S(=O)(=O)N2C)O)C
InChI
InChI=1S/C17H15N3O4S3/c1-8-9(2)25-17(18-8)19-16(22)12-13(21)14-15(27(23,24)20(12)3)10-6-4-5-7-11(10)26-14/h4-7,21H,1-3H3,(H,18,19,22)
InChIKey
UNAMCDUYZJGINN-UHFFFAOYSA-N
Compound name
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

421.02246 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.02974 189.5
[M+Na]+ 444.01168 202.7
[M-H]- 420.01518 194.8
[M+NH4]+ 439.05628 205.4
[M+K]+ 459.98562 195.5
[M+H-H2O]+ 404.01972 186.9
[M+HCOO]- 466.02066 195.5
[M+CH3COO]- 480.03631 199.7
[M+Na-2H]- 441.99713 191.4
[M]+ 421.02191 197.8
[M]- 421.02301 197.8
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