CID 44159515

7-hydroxy-2-oxindole-3-acetate glucoside

Structural Information

Molecular Formula
C16H19NO9
SMILES
C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)NC(=O)C2CC(=O)O
InChI
InChI=1S/C16H19NO9/c18-5-9-12(21)13(22)14(23)16(26-9)25-8-3-1-2-6-7(4-10(19)20)15(24)17-11(6)8/h1-3,7,9,12-14,16,18,21-23H,4-5H2,(H,17,24)(H,19,20)/t7?,9-,12-,13+,14-,16-/m1/s1
InChIKey
GJXGLYODFWLYHO-PNNKGAHQSA-N
Compound name
2-[2-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-dihydroindol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

369.106 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11328 181.9
[M+Na]+ 392.09522 188.2
[M+NH4]+ 387.13982 183.9
[M+K]+ 408.06916 190.3
[M-H]- 368.09872 180.0
[M+Na-2H]- 390.08067 178.4
[M]+ 369.10545 181.4
[M]- 369.10655 181.4
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

No patent data available for this compound.