CID 2728904

10022-13-6

Structural Information

Molecular Formula
C22H23NO11
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H23NO11/c1-10(24)30-9-16-18(31-11(2)25)19(32-12(3)26)17(22(34-16)33-13(4)27)23-20(28)14-7-5-6-8-15(14)21(23)29/h5-8,16-19,22H,9H2,1-4H3/t16-,17-,18-,19-,22-/m1/s1
InChIKey
DUXJAHFLYZUOPT-ACMVSEJYSA-N
Compound name
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

477.1271 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.13438 201.7
[M+Na]+ 500.11632 208.2
[M+NH4]+ 495.16092 202.2
[M+K]+ 516.09026 210.6
[M-H]- 476.11982 200.1
[M+Na-2H]- 498.10177 198.7
[M]+ 477.12655 201.3
[M]- 477.12765 201.3
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