CID 496017

Nsc676689

Structural Information

Molecular Formula
C11H12N2O6S
SMILES
C1=CSC2=C1N(C(=O)NC2=O)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H12N2O6S/c14-3-5-6(15)7(16)10(19-5)13-4-1-2-20-8(4)9(17)12-11(13)18/h1-2,5-7,10,14-16H,3H2,(H,12,17,18)/t5-,6-,7+,10-/m1/s1
InChIKey
BXHVEARKNSUHAO-QGOVLLJGSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0416 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.04888 161.2
[M+Na]+ 323.03082 172.8
[M-H]- 299.03432 164.0
[M+NH4]+ 318.07542 175.7
[M+K]+ 339.00476 168.9
[M+H-H2O]+ 283.03886 157.1
[M+HCOO]- 345.03980 173.7
[M+CH3COO]- 359.05545 172.8
[M+Na-2H]- 321.01627 160.5
[M]+ 300.04105 165.1
[M]- 300.04215 165.1
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.