CID 76963248

1262333-25-4

Structural Information

Molecular Formula
C15H15N3O4S2
SMILES
CC1=CN(C(=NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O)S1)C
InChI
InChI=1S/C15H15N3O4S2/c1-9-8-17(2)15(23-9)16-14(20)12-13(19)10-6-4-5-7-11(10)24(21,22)18(12)3/h4-8,19H,1-3H3
InChIKey
FKCKPQZEMYTSCC-UHFFFAOYSA-N
Compound name
N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.05038 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.05766 177.6
[M+Na]+ 388.03960 189.6
[M-H]- 364.04310 183.6
[M+NH4]+ 383.08420 193.4
[M+K]+ 404.01354 183.8
[M+H-H2O]+ 348.04764 171.9
[M+HCOO]- 410.04858 189.0
[M+CH3COO]- 424.06423 213.0
[M+Na-2H]- 386.02505 178.7
[M]+ 365.04983 184.1
[M]- 365.05093 184.1
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