CID 53481645

Refchem:1093147

Structural Information

Molecular Formula
C15H15NO8
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C15H15NO8/c17-9-10(18)12(13(20)21)23-15(11(9)19)24-14(22)7-5-16-8-4-2-1-3-6(7)8/h1-5,9-12,15-19H,(H,20,21)/t9-,10-,11+,12?,15-/m0/s1
InChIKey
BDNWJTRKUBXAGH-DOVARBIBSA-N
Compound name
(3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indole-3-carbonyloxy)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

337.07977 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08705 170.4
[M+Na]+ 360.06899 176.7
[M-H]- 336.07249 171.5
[M+NH4]+ 355.11359 180.4
[M+K]+ 376.04293 174.7
[M+H-H2O]+ 320.07703 164.1
[M+HCOO]- 382.07797 181.9
[M+CH3COO]- 396.09362 199.0
[M+Na-2H]- 358.05444 170.1
[M]+ 337.07922 169.6
[M]- 337.08032 169.6
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.