CID 3078348

Brn 3564282

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CCN(CC)CC#C[C@@]1(C[C@H](N(C[C@]1(C)O)C)C2=CC=C(C=C2)C)O
InChI
InChI=1S/C21H32N2O2/c1-6-23(7-2)14-8-13-21(25)15-19(22(5)16-20(21,4)24)18-11-9-17(3)10-12-18/h9-12,19,24-25H,6-7,14-16H2,1-5H3/t19-,20-,21-/m0/s1
InChIKey
KWXYJSJMEVGYPQ-ACRUOGEOSA-N
Compound name
(3S,4R,6S)-4-[3-(diethylamino)prop-1-ynyl]-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.253646 183.7
[M+Na]+ 367.235588 191.9
[M-H]- 343.239094 185.5
[M+NH4]+ 362.280193 197.5
[M+K]+ 383.209528 185.1
[M+H-H2O]+ 327.243630 171.1
[M+HCOO]- 389.244571 194.2
[M+CH3COO]- 403.260221 219.5
[M+Na-2H]- 365.221036 183.2
[M]+ 344.24582142 177.5
[M]- 344.24691858 177.5
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.