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]+ 345.25365 183.7
[M+Na]+ 367.23559 191.9
[M-H]- 343.23909 185.5
[M+NH4]+ 362.28019 197.5
[M+K]+ 383.20953 185.1
[M+H-H2O]+ 327.24363 171.1
[M+HCOO]- 389.24457 194.2
[M+CH3COO]- 403.26022 219.5
[M+Na-2H]- 365.22104 183.2
[M]+ 344.24582 177.5
[M]- 344.24692 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.