CID 455518

Thienopyrimid 2oh-1ohme-etome nucl

Structural Information

Molecular Formula
C10H12N2O5S
SMILES
C1=CSC2=C1N(C(=O)NC2=O)COC(CO)CO
InChI
InChI=1S/C10H12N2O5S/c13-3-6(4-14)17-5-12-7-1-2-18-8(7)9(15)11-10(12)16/h1-2,6,13-14H,3-5H2,(H,11,15,16)
InChIKey
SCNDXILSFCKRGH-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)thieno[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0467 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.053976 154.6
[M+Na]+ 295.035918 165.0
[M-H]- 271.039424 153.7
[M+NH4]+ 290.080523 169.9
[M+K]+ 311.009858 160.5
[M+H-H2O]+ 255.043960 148.8
[M+HCOO]- 317.044901 169.0
[M+CH3COO]- 331.060551 186.7
[M+Na-2H]- 293.021366 156.8
[M]+ 272.04615142 160.0
[M]- 272.04724858 160.0
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.