CID 54708903

109418-05-5

Structural Information

Molecular Formula
C14H14N4O4S2
SMILES
CC1=CC(=NC2=C1C(=C(N(S2(=O)=O)C)C(=O)NC3=NC=CS3)O)C
InChI
InChI=1S/C14H14N4O4S2/c1-7-6-8(2)16-13-9(7)11(19)10(18(3)24(13,21)22)12(20)17-14-15-4-5-23-14/h4-6,19H,1-3H3,(H,15,17,20)
InChIKey
KKFLYLOXROCXRE-UHFFFAOYSA-N
Compound name
4-hydroxy-2,5,7-trimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)pyrido[3,2-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.04565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05293 176.7
[M+Na]+ 389.03487 188.4
[M-H]- 365.03837 180.2
[M+NH4]+ 384.07947 190.4
[M+K]+ 405.00881 182.4
[M+H-H2O]+ 349.04291 171.1
[M+HCOO]- 411.04385 185.7
[M+CH3COO]- 425.05950 187.0
[M+Na-2H]- 387.02032 178.0
[M]+ 366.04510 182.4
[M]- 366.04620 182.4
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.