CID 14727652

(2r,3r,4r,5r,6r)-2-(acetoxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-6-fluorotetrahydro-2h-pyran-3,4-diyl diacetate

Structural Information

Molecular Formula
C20H20FNO9
SMILES
CC(=O)OCC1C(C(C(C(O1)F)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H20FNO9/c1-9(23)28-8-14-16(29-10(2)24)17(30-11(3)25)15(18(21)31-14)22-19(26)12-6-4-5-7-13(12)20(22)27/h4-7,14-18H,8H2,1-3H3
InChIKey
YRVBOYANNCZRHU-UHFFFAOYSA-N
Compound name
[3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-fluorooxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11948 198.7
[M+Na]+ 460.10142 205.8
[M+NH4]+ 455.14602 200.2
[M+K]+ 476.07536 206.4
[M-H]- 436.10492 196.9
[M+Na-2H]- 458.08687 196.0
[M]+ 437.11165 198.4
[M]- 437.11275 198.4
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

No patent data available for this compound.