CID 51356674

1279691-36-9

Structural Information

Molecular Formula
C24H29ClO8
SMILES
CO[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)O[C@H]4CCOC4
InChI
InChI=1S/C24H29ClO8/c1-30-24(23(29)22(28)21(27)20(12-26)33-24)16-4-7-19(25)15(11-16)10-14-2-5-17(6-3-14)32-18-8-9-31-13-18/h2-7,11,18,20-23,26-29H,8-10,12-13H2,1H3/t18-,20+,21+,22-,23+,24-/m0/s1
InChIKey
YIVKIDWTTVMRBY-JZTXWIGVSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

480.1551 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.16238 210.5
[M+Na]+ 503.14432 221.6
[M+NH4]+ 498.18892 216.6
[M+K]+ 519.11826 217.2
[M-H]- 479.14782 217.1
[M+Na-2H]- 501.12977 214.7
[M]+ 480.15455 214.2
[M]- 480.15565 214.2
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