CID 54708904

2h-pyrido(3,2-e)(1,2)thiazine-3-carboxamide, 4-hydroxy-n-phenyl-2,5,7-trimethyl-, 1,1-dioxide

Structural Information

Molecular Formula
C17H17N3O4S
SMILES
CC1=CC(=NC2=C1C(=C(N(S2(=O)=O)C)C(=O)NC3=CC=CC=C3)O)C
InChI
InChI=1S/C17H17N3O4S/c1-10-9-11(2)18-17-13(10)15(21)14(20(3)25(17,23)24)16(22)19-12-7-5-4-6-8-12/h4-9,21H,1-3H3,(H,19,22)
InChIKey
QJVMAIKYPRWEJD-UHFFFAOYSA-N
Compound name
4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-phenylpyrido[3,2-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.09396 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.101236 179.5
[M+Na]+ 382.083178 190.1
[M-H]- 358.086684 184.1
[M+NH4]+ 377.127783 192.5
[M+K]+ 398.057118 184.7
[M+H-H2O]+ 342.091220 171.6
[M+HCOO]- 404.092161 193.1
[M+CH3COO]- 418.107811 214.2
[M+Na-2H]- 380.068626 182.7
[M]+ 359.09341142 183.6
[M]- 359.09450858 183.6
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

No patent data available for this compound.