CID 491809

[(2r,3s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] tetradecanoate

Structural Information

Molecular Formula
C24H40N2O7
SMILES
CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)CO)O
InChI
InChI=1S/C24H40N2O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(28)33-21-20(29)18(16-27)32-23(21)26-15-17(2)22(30)25-24(26)31/h15,18,20-21,23,27,29H,3-14,16H2,1-2H3,(H,25,30,31)/t18-,20-,21+,23-/m1/s1
InChIKey
GVXPRRMIYWPELX-WRHDZBKDSA-N
Compound name
[(2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.28354 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.29082 215.3
[M+Na]+ 491.27276 218.8
[M-H]- 467.27626 215.1
[M+NH4]+ 486.31736 219.6
[M+K]+ 507.24670 214.8
[M+H-H2O]+ 451.28080 206.3
[M+HCOO]- 513.28174 226.7
[M+CH3COO]- 527.29739 231.2
[M+Na-2H]- 489.25821 208.5
[M]+ 468.28299 221.4
[M]- 468.28409 221.4
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.