CID 453016

Acetyl-flt

Structural Information

Molecular Formula
C12H15FN2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C)F
InChI
InChI=1S/C12H15FN2O5/c1-6-4-15(12(18)14-11(6)17)10-3-8(13)9(20-10)5-19-7(2)16/h4,8-10H,3,5H2,1-2H3,(H,14,17,18)/t8-,9+,10+/m0/s1
InChIKey
YHHMPZAORRCRSI-IVZWLZJFSA-N
Compound name
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

286.0965 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10378 159.2
[M+Na]+ 309.08572 168.9
[M-H]- 285.08922 162.2
[M+NH4]+ 304.13032 172.5
[M+K]+ 325.05966 166.9
[M+H-H2O]+ 269.09376 151.1
[M+HCOO]- 331.09470 176.5
[M+CH3COO]- 345.11035 196.9
[M+Na-2H]- 307.07117 159.0
[M]+ 286.09595 160.6
[M]- 286.09705 160.6
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