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]+ 360.10124 179.5
[M+Na]+ 382.08318 190.1
[M-H]- 358.08668 184.1
[M+NH4]+ 377.12778 192.5
[M+K]+ 398.05712 184.7
[M+H-H2O]+ 342.09122 171.6
[M+HCOO]- 404.09216 193.1
[M+CH3COO]- 418.10781 214.2
[M+Na-2H]- 380.06863 182.7
[M]+ 359.09341 183.6
[M]- 359.09451 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.