CID 71587958

1262133-66-3

Structural Information

Molecular Formula
C20H30FN3O9
SMILES
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)C)O)O
InChI
InChI=1S/C20H30FN3O9/c1-4-5-6-7-30-20(29)23-16-11(21)8-24(19(28)22-16)17-15(13(26)10(3)31-17)33-18-14(27)12(25)9(2)32-18/h8-10,12-15,17-18,25-27H,4-7H2,1-3H3,(H,22,23,28,29)/t9-,10-,12-,13-,14-,15-,17-,18+/m1/s1
InChIKey
BFJRATXGRKMYFE-YXUPXXBNSA-N
Compound name
pentyl N-[1-[(2R,3R,4R,5R)-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-4-hydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.1966 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.20388 208.8
[M+Na]+ 498.18582 213.8
[M-H]- 474.18932 213.1
[M+NH4]+ 493.23042 213.0
[M+K]+ 514.15976 213.5
[M+H-H2O]+ 458.19386 200.9
[M+HCOO]- 520.19480 219.8
[M+CH3COO]- 534.21045 234.5
[M+Na-2H]- 496.17127 201.5
[M]+ 475.19605 212.8
[M]- 475.19715 212.8
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

patents stripe