CID 2733913

467214-46-6

Structural Information

Molecular Formula
C14H16ClNO6
SMILES
C1=CC2=C(C=C1Cl)NC=C2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C14H16ClNO6/c15-6-1-2-7-8(3-6)16-4-9(7)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11-,12+,13-,14+/m1/s1
InChIKey
OQWBAXBVBGNSPW-RGDJUOJXSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

384
Patents

329.06662 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07390 170.1
[M+Na]+ 352.05584 181.6
[M+NH4]+ 347.10044 175.7
[M+K]+ 368.02978 179.8
[M-H]- 328.05934 171.4
[M+Na-2H]- 350.04129 171.5
[M]+ 329.06607 172.1
[M]- 329.06717 172.1
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

patents stripe