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

5
Patents

365.05038 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.057656 177.6
[M+Na]+ 388.039598 189.6
[M-H]- 364.043104 183.6
[M+NH4]+ 383.084203 193.4
[M+K]+ 404.013538 183.8
[M+H-H2O]+ 348.047640 171.9
[M+HCOO]- 410.048581 189.0
[M+CH3COO]- 424.064231 213.0
[M+Na-2H]- 386.025046 178.7
[M]+ 365.04983142 184.1
[M]- 365.05092858 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