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]+ 283.12886 161.1
[M+Na]+ 305.11080 169.5
[M-H]- 281.11430 164.9
[M+NH4]+ 300.15540 175.1
[M+K]+ 321.08474 167.8
[M+H-H2O]+ 265.11884 154.2
[M+HCOO]- 327.11978 174.3
[M+CH3COO]- 341.13543 192.7
[M+Na-2H]- 303.09625 164.9
[M]+ 282.12103 160.2
[M]- 282.12213 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.