CID 501952

1-[(2r)-7a-(hydroxymethyl)-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC3C(O2)(CCCO3)CO
InChI
InChI=1S/C13H18N2O5/c1-8-6-15(12(18)14-11(8)17)10-5-9-13(7-16,20-10)3-2-4-19-9/h6,9-10,16H,2-5,7H2,1H3,(H,14,17,18)/t9?,10-,13?/m1/s1
InChIKey
YPDJDOHPIUCHSR-RUETXSTFSA-N
Compound name
1-[(2R)-7a-(hydroxymethyl)-2,3,3a,5,6,7-hexahydrofuro[3,2-b]pyran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 161.1
[M+Na]+ 305.110798 169.5
[M-H]- 281.114304 164.9
[M+NH4]+ 300.155403 175.1
[M+K]+ 321.084738 167.8
[M+H-H2O]+ 265.118840 154.2
[M+HCOO]- 327.119781 174.3
[M+CH3COO]- 341.135431 192.7
[M+Na-2H]- 303.096246 164.9
[M]+ 282.12103142 160.2
[M]- 282.12212858 160.2
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.