CID 57355711

910129-15-6

Structural Information

Molecular Formula
C15H22FN3O6
SMILES
CCC(C)COC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O
InChI
InChI=1S/C15H22FN3O6/c1-4-7(2)6-24-15(23)18-12-9(16)5-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h5,7-8,10-11,13,20-21H,4,6H2,1-3H3,(H,17,18,22,23)/t7?,8-,10-,11-,13-/m1/s1
InChIKey
WBAXSXXYPPILCT-DGHYOTGBSA-N
Compound name
2-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
2
Annotation Hits

1
References

5
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