CID 54201881

162204-30-0

Structural Information

Molecular Formula
C15H22FN3O6
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)NC(=O)OCCC(C)C)F)O)O
InChI
InChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
InChIKey
PPVCPOIDSSQXMR-UORFTKCHSA-N
Compound name
3-methylbutyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

359.14926 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15654 184.5
[M+Na]+ 382.13848 191.4
[M+NH4]+ 377.18308 186.3
[M+K]+ 398.11242 192.0
[M-H]- 358.14198 182.8
[M+Na-2H]- 380.12393 183.3
[M]+ 359.14871 184.2
[M]- 359.14981 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe