CID 14819947

(3-(4-fph)2-propenyl)dnj

Structural Information

Molecular Formula
C15H20FNO4
SMILES
C1[C@@H]([C@H]([C@@H]([C@H](N1C/C=C/C2=CC=C(C=C2)F)CO)O)O)O
InChI
InChI=1S/C15H20FNO4/c16-11-5-3-10(4-6-11)2-1-7-17-8-13(19)15(21)14(20)12(17)9-18/h1-6,12-15,18-21H,7-9H2/b2-1+/t12-,13+,14-,15-/m1/s1
InChIKey
QTMWYBZJRNMCHK-SRNWTRKMSA-N
Compound name
(2R,3R,4R,5S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.13763 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14491 169.3
[M+Na]+ 320.12685 175.3
[M-H]- 296.13035 167.8
[M+NH4]+ 315.17145 180.8
[M+K]+ 336.10079 169.6
[M+H-H2O]+ 280.13489 161.3
[M+HCOO]- 342.13583 181.4
[M+CH3COO]- 356.15148 194.8
[M+Na-2H]- 318.11230 167.9
[M]+ 297.13708 163.5
[M]- 297.13818 163.5
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

No patent data available for this compound.