CID 56843247

Synjardy xr

Structural Information

Molecular Formula
C23H27ClO7
SMILES
CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)O[C@H]4CCOC4)O)O)O
InChI
InChI=1S/C23H27ClO7/c1-28-23-21(27)19(25)20(26)22(31-23)14-4-7-18(24)15(11-14)10-13-2-5-16(6-3-13)30-17-8-9-29-12-17/h2-7,11,17,19-23,25-27H,8-10,12H2,1H3/t17-,19+,20+,21-,22-,23-/m0/s1
InChIKey
SUXVCWLPMZFCBT-OESRZTOOSA-N
Compound name
(2S,3R,4R,5S,6S)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-methoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

450.14453 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15181 205.3
[M+Na]+ 473.13375 217.6
[M+NH4]+ 468.17835 211.1
[M+K]+ 489.10769 214.0
[M-H]- 449.13725 213.0
[M+Na-2H]- 471.11920 209.0
[M]+ 450.14398 209.4
[M]- 450.14508 209.4
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.