CID 3078347

Brn 3562979

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CCN(CC)CC#C[C@@]1(C[C@H](N(C[C@]1(C)O)C)C2=CC=CC=C2)O
InChI
InChI=1S/C20H30N2O2/c1-5-22(6-2)14-10-13-20(24)15-18(17-11-8-7-9-12-17)21(4)16-19(20,3)23/h7-9,11-12,18,23-24H,5-6,14-16H2,1-4H3/t18-,19-,20-/m0/s1
InChIKey
FUAHXGGQZNPKJP-UFYCRDLUSA-N
Compound name
(3S,4R,6S)-4-[3-(diethylamino)prop-1-ynyl]-1,3-dimethyl-6-phenylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.23074 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23802 180.9
[M+Na]+ 353.21996 188.7
[M-H]- 329.22346 182.5
[M+NH4]+ 348.26456 194.9
[M+K]+ 369.19390 181.9
[M+H-H2O]+ 313.22800 168.1
[M+HCOO]- 375.22894 191.7
[M+CH3COO]- 389.24459 215.7
[M+Na-2H]- 351.20541 181.3
[M]+ 330.23019 173.9
[M]- 330.23129 173.9
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.