CID 54697125

36392-64-0

Structural Information

Molecular Formula
C16H15N3O4S
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
InChI
InChI=1S/C16H15N3O4S/c1-10-6-5-9-13(17-10)18-16(21)14-15(20)11-7-3-4-8-12(11)24(22,23)19(14)2/h3-9,20H,1-2H3,(H,17,18,21)
InChIKey
NIGKHKLDZOHYMT-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-N-(6-methylpyridin-2-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

345.07834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08562 175.3
[M+Na]+ 368.06756 185.5
[M-H]- 344.07106 179.8
[M+NH4]+ 363.11216 188.6
[M+K]+ 384.04150 180.3
[M+H-H2O]+ 328.07560 167.3
[M+HCOO]- 390.07654 189.3
[M+CH3COO]- 404.09219 209.9
[M+Na-2H]- 366.05301 179.6
[M]+ 345.07779 178.6
[M]- 345.07889 178.6
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