CID 58434490

1262133-64-1

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[C@H]3[C@@H]([C@@H]([C@H](O3)C)O)O)O
InChI
InChI=1S/C20H30FN3O9/c1-4-5-6-7-30-20(29)23-16-11(21)8-24(19(28)22-16)17-14(27)15(10(3)31-17)33-18-13(26)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
VTELESLWOUWJLQ-YXUPXXBNSA-N
Compound name
pentyl N-[1-[(2R,3R,4S,5R)-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-3-hydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 214.5
[M+Na]+ 498.18582 219.1
[M+NH4]+ 493.23042 214.1
[M+K]+ 514.15976 223.0
[M-H]- 474.18932 214.1
[M+Na-2H]- 496.17127 209.9
[M]+ 475.19605 214.0
[M]- 475.19715 214.0
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