CID 11394581

Oxindole-3-acetyl-3-o-beta-glucose

Structural Information

Molecular Formula
C16H19NO9
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H19NO9/c18-6-9-11(21)12(22)13(23)14(25-9)26-16(5-10(19)20)7-3-1-2-4-8(7)17-15(16)24/h1-4,9,11-14,18,21-23H,5-6H2,(H,17,24)(H,19,20)/t9-,11-,12+,13-,14+,16?/m1/s1
InChIKey
DNQQEEOKVVSMQI-WWSROUDQSA-N
Compound name
2-[2-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

369.106 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11328 180.8
[M+Na]+ 392.09522 186.8
[M+NH4]+ 387.13982 184.2
[M+K]+ 408.06916 187.0
[M-H]- 368.09872 178.7
[M+Na-2H]- 390.08067 179.3
[M]+ 369.10545 180.4
[M]- 369.10655 180.4
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.