CID 3078353

Brn 3565328

Structural Information

Molecular Formula
C20H29FN2O2
SMILES
CCN(CC)CC#C[C@@]1(C[C@H](N(C[C@]1(C)O)C)C2=CC=C(C=C2)F)O
InChI
InChI=1S/C20H29FN2O2/c1-5-23(6-2)13-7-12-20(25)14-18(22(4)15-19(20,3)24)16-8-10-17(21)11-9-16/h8-11,18,24-25H,5-6,13-15H2,1-4H3/t18-,19-,20-/m0/s1
InChIKey
KUNNLVKNBLKQOX-UFYCRDLUSA-N
Compound name
(3S,4R,6S)-4-[3-(diethylamino)prop-1-ynyl]-6-(4-fluorophenyl)-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2213 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22858 181.4
[M+Na]+ 371.21052 189.8
[M-H]- 347.21402 181.9
[M+NH4]+ 366.25512 194.9
[M+K]+ 387.18446 183.0
[M+H-H2O]+ 331.21856 168.0
[M+HCOO]- 393.21950 191.2
[M+CH3COO]- 407.23515 219.2
[M+Na-2H]- 369.19597 180.8
[M]+ 348.22075 173.7
[M]- 348.22185 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.