CID 441564

Indican

Structural Information

Molecular Formula
C14H17NO6
SMILES
C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
XVARCVCWNFACQC-RKQHYHRCSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

4049
Patents

295.1056 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11288 165.1
[M+Na]+ 318.09482 175.4
[M+NH4]+ 313.13942 170.4
[M+K]+ 334.06876 174.3
[M-H]- 294.09832 166.3
[M+Na-2H]- 316.08027 166.6
[M]+ 295.10505 166.5
[M]- 295.10615 166.5
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

patents stripe