CID 3078233

Acetamide, n-(5,6,7,8-tetrahydro-6-hydroxy-7-(4-phenyl-1-piperidinyl)-1-naphthalenyl)-trans-(+-)-

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CC(=O)NC1=CC=CC2=C1C[C@@H]([C@H](C2)O)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O2/c1-16(26)24-21-9-5-8-19-14-23(27)22(15-20(19)21)25-12-10-18(11-13-25)17-6-3-2-4-7-17/h2-9,18,22-23,27H,10-15H2,1H3,(H,24,26)/t22-,23-/m0/s1
InChIKey
RUVNANCEFYIYHW-GOTSBHOMSA-N
Compound name
N-[(6S,7S)-6-hydroxy-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 189.0
[M+Na]+ 387.204318 191.3
[M-H]- 363.207824 195.0
[M+NH4]+ 382.248923 199.2
[M+K]+ 403.178258 185.2
[M+H-H2O]+ 347.212360 178.4
[M+HCOO]- 409.213301 201.7
[M+CH3COO]- 423.228951 196.0
[M+Na-2H]- 385.189766 188.9
[M]+ 364.21455142 180.9
[M]- 364.21564858 180.9
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.