CID 154699559

Ns00117319

Structural Information

Molecular Formula
C15H21NO8
SMILES
CNC[C@@H](C1=CC(=CC=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O
InChI
InChI=1S/C15H21NO8/c1-16-6-9(17)7-3-2-4-8(5-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h2-5,9-13,15-20H,6H2,1H3,(H,21,22)/t9-,10-,11-,12+,13-,15?/m0/s1
InChIKey
DMVJUYDQYGHJIC-MLFYPQLQSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1267 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13398 177.1
[M+Na]+ 366.11592 183.6
[M+NH4]+ 361.16052 179.7
[M+K]+ 382.08986 183.5
[M-H]- 342.11942 177.0
[M+Na-2H]- 364.10137 176.5
[M]+ 343.12615 177.2
[M]- 343.12725 177.2
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.