CID 475538

(2r,3r,4r,5s)-1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

Structural Information

Molecular Formula
C16H24FNO6
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1CCOCCOC2=CC=C(C=C2)F)CO)O)O)O
InChI
InChI=1S/C16H24FNO6/c17-11-1-3-12(4-2-11)24-8-7-23-6-5-18-9-14(20)16(22)15(21)13(18)10-19/h1-4,13-16,19-22H,5-10H2/t13-,14+,15-,16-/m1/s1
InChIKey
PSRXUIIJDSGMQF-QKPAOTATSA-N
Compound name
(2R,3R,4R,5S)-1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.15875 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16603 178.9
[M+Na]+ 368.14797 183.6
[M-H]- 344.15147 177.0
[M+NH4]+ 363.19257 188.2
[M+K]+ 384.12191 179.8
[M+H-H2O]+ 328.15601 170.0
[M+HCOO]- 390.15695 190.9
[M+CH3COO]- 404.17260 203.8
[M+Na-2H]- 366.13342 177.4
[M]+ 345.15820 177.1
[M]- 345.15930 177.1
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.