CID 333194

Nsc333426

Structural Information

Molecular Formula
C11H15N2O6PS
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=S)(O3)OC
InChI
InChI=1S/C11H15N2O6PS/c1-6-4-13(11(15)12-10(6)14)9-3-7-8(18-9)5-17-20(21,16-2)19-7/h4,7-9H,3,5H2,1-2H3,(H,12,14,15)
InChIKey
YCYFZOMQYRRIEP-UHFFFAOYSA-N
Compound name
1-(2-methoxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.03885 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.04613 167.0
[M+Na]+ 357.02807 176.6
[M-H]- 333.03157 172.0
[M+NH4]+ 352.07267 179.4
[M+K]+ 373.00201 177.1
[M+H-H2O]+ 317.03611 158.9
[M+HCOO]- 379.03705 182.6
[M+CH3COO]- 393.05270 203.0
[M+Na-2H]- 355.01352 166.7
[M]+ 334.03830 171.4
[M]- 334.03940 171.4
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.