CID 491810

1-(3-decyloxy-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H34N2O6
SMILES
CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)CO)O
InChI
InChI=1S/C20H34N2O6/c1-3-4-5-6-7-8-9-10-11-27-17-16(24)15(13-23)28-19(17)22-12-14(2)18(25)21-20(22)26/h12,15-17,19,23-24H,3-11,13H2,1-2H3,(H,21,25,26)/t15-,16-,17+,19-/m1/s1
InChIKey
RSOOBTHTKPAYNV-VXIBKDFQSA-N
Compound name
1-[(2R,3S,4R,5R)-3-decoxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.2417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24898 196.9
[M+Na]+ 421.23092 202.5
[M-H]- 397.23442 197.3
[M+NH4]+ 416.27552 204.3
[M+K]+ 437.20486 198.4
[M+H-H2O]+ 381.23896 188.5
[M+HCOO]- 443.23990 210.3
[M+CH3COO]- 457.25555 217.6
[M+Na-2H]- 419.21637 192.9
[M]+ 398.24115 201.7
[M]- 398.24225 201.7
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.