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 180.1
[M+Na]+ 383.07845 191.1
[M-H]- 359.08195 183.5
[M+NH4]+ 378.12305 191.7
[M+K]+ 399.05239 185.6
[M+H-H2O]+ 343.08649 171.7
[M+HCOO]- 405.08743 192.7
[M+CH3COO]- 419.10308 214.1
[M+Na-2H]- 381.06390 183.7
[M]+ 360.08868 184.2
[M]- 360.08978 184.2
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.