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]+ 273.05398 154.6
[M+Na]+ 295.03592 165.0
[M-H]- 271.03942 153.7
[M+NH4]+ 290.08052 169.9
[M+K]+ 311.00986 160.5
[M+H-H2O]+ 255.04396 148.8
[M+HCOO]- 317.04490 169.0
[M+CH3COO]- 331.06055 186.7
[M+Na-2H]- 293.02137 156.8
[M]+ 272.04615 160.0
[M]- 272.04725 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.