CID 475117

1-(8-hydroxy-1,7,9-trioxa-8-oxo-8-phospha-4-thiaspiro[4.5]dec-2-yl)-5-methyl-1,3-dihydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13N2O7PS
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CSC3(O2)COP(=O)(OC3)O
InChI
InChI=1S/C10H13N2O7PS/c1-6-2-12(9(14)11-8(6)13)7-3-21-10(19-7)4-17-20(15,16)18-5-10/h2,7H,3-5H2,1H3,(H,15,16)(H,11,13,14)/t7-/m1/s1
InChIKey
YFVBROPAWXSVRQ-SSDOTTSWSA-N
Compound name
1-[(2R)-8-hydroxy-8-oxo-1,7,9-trioxa-4-thia-8lambda5-phosphaspiro[4.5]decan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0181 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02538 163.0
[M+Na]+ 359.00732 171.9
[M-H]- 335.01082 167.9
[M+NH4]+ 354.05192 175.4
[M+K]+ 374.98126 173.0
[M+H-H2O]+ 319.01536 155.4
[M+HCOO]- 381.01630 177.9
[M+CH3COO]- 395.03195 197.7
[M+Na-2H]- 356.99277 164.7
[M]+ 336.01755 165.0
[M]- 336.01865 165.0
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.