CID 506488

2h-pyrimido[4,5-b][1,4]benzothiazine-2,4(3h)-dione, 1,5-dihydro-1-.beta.-d-ribosyl-

Structural Information

Molecular Formula
C15H15N3O6S
SMILES
C1=CC=C2C(=C1)NC3=C(S2)N(C(=O)NC3=O)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C15H15N3O6S/c19-5-7-10(20)11(21)13(24-7)18-14-9(12(22)17-15(18)23)16-6-3-1-2-4-8(6)25-14/h1-4,7,10-11,13,16,19-21H,5H2,(H,17,22,23)/t7-,10-,11-,13-/m1/s1
InChIKey
GIZBWIAUOXRPEV-GDECHXLSSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.06815 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07543 179.0
[M+Na]+ 388.05737 188.4
[M-H]- 364.06087 178.8
[M+NH4]+ 383.10197 187.5
[M+K]+ 404.03131 182.6
[M+H-H2O]+ 348.06541 172.9
[M+HCOO]- 410.06635 183.3
[M+CH3COO]- 424.08200 187.0
[M+Na-2H]- 386.04282 179.1
[M]+ 365.06760 178.8
[M]- 365.06870 178.8
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.