CID 154700097

Ns00117807

Structural Information

Molecular Formula
C17H25NO8
SMILES
CC1=C(C(=CC=C1)C)OCC(C)NOC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C17H25NO8/c1-8-5-4-6-9(2)14(8)24-7-10(3)18-26-17-13(21)11(19)12(20)15(25-17)16(22)23/h4-6,10-13,15,17-21H,7H2,1-3H3,(H,22,23)/t10?,11-,12-,13+,15-,17?/m0/s1
InChIKey
XXMULGPNDWROEN-RNQPHIEHSA-N
Compound name
(2S,3S,4S,5R)-6-[1-(2,6-dimethylphenoxy)propan-2-ylamino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15802 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16530 185.5
[M+Na]+ 394.14724 192.5
[M+NH4]+ 389.19184 188.1
[M+K]+ 410.12118 191.8
[M-H]- 370.15074 185.9
[M+Na-2H]- 392.13269 184.8
[M]+ 371.15747 186.0
[M]- 371.15857 186.0
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.