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

392
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 169.1
[M+Na]+ 352.05584 178.1
[M-H]- 328.05934 170.5
[M+NH4]+ 347.10044 181.3
[M+K]+ 368.02978 173.3
[M+H-H2O]+ 312.06388 163.9
[M+HCOO]- 374.06482 177.8
[M+CH3COO]- 388.08047 195.9
[M+Na-2H]- 350.04129 170.1
[M]+ 329.06607 170.4
[M]- 329.06717 170.4
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

patents stripe