CID 54708902

109418-04-4

Structural Information

Molecular Formula
C16H16N4O4S
SMILES
CC1=CC(=NC2=C1C(=C(N(S2(=O)=O)C)C(=O)NC3=CC=CC=N3)O)C
InChI
InChI=1S/C16H16N4O4S/c1-9-8-10(2)18-16-12(9)14(21)13(20(3)25(16,23)24)15(22)19-11-6-4-5-7-17-11/h4-8,21H,1-3H3,(H,17,19,22)
InChIKey
BGFRPBRBKMFHNS-UHFFFAOYSA-N
Compound name
4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-pyridin-2-ylpyrido[3,2-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.08923 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09651 180.9
[M+Na]+ 383.07845 194.5
[M+NH4]+ 378.12305 187.4
[M+K]+ 399.05239 185.5
[M-H]- 359.08195 182.7
[M+Na-2H]- 381.06390 187.6
[M]+ 360.08868 183.8
[M]- 360.08978 183.8
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

No patent data available for this compound.