CID 131751604

(s)-2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-glucoside

Structural Information

Molecular Formula
C16H19NO10
SMILES
C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)C(C(=O)N2)(CC(=O)O)O
InChI
InChI=1S/C16H19NO10/c18-5-9-11(21)12(22)13(23)14(27-9)26-6-1-2-8-7(3-6)16(25,4-10(19)20)15(24)17-8/h1-3,9,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)
InChIKey
KZKDOIBDOJKQAC-UHFFFAOYSA-N
Compound name
2-[3-hydroxy-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1009 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10818 183.4
[M+Na]+ 408.09012 188.7
[M+NH4]+ 403.13472 185.8
[M+K]+ 424.06406 190.0
[M-H]- 384.09362 180.4
[M+Na-2H]- 406.07557 180.7
[M]+ 385.10035 182.5
[M]- 385.10145 182.5
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.