CID 53764549

Indole-3-acetyl-beta-6-d-glucose

Structural Information

Molecular Formula
C16H19NO7
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O
InChI
InChI=1S/C16H19NO7/c18-12(5-8-6-17-10-4-2-1-3-9(8)10)23-7-11-13(19)14(20)15(21)16(22)24-11/h1-4,6,11,13-17,19-22H,5,7H2/t11-,13-,14+,15-,16-/m1/s1
InChIKey
DKHLXGMLDJKOFU-YMILTQATSA-N
Compound name
[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-(1H-indol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

337.11615 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12343 176.0
[M+Na]+ 360.10537 185.1
[M+NH4]+ 355.14997 179.9
[M+K]+ 376.07931 184.8
[M-H]- 336.10887 176.2
[M+Na-2H]- 358.09082 176.1
[M]+ 337.11560 176.8
[M]- 337.11670 176.8
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.