CID 6447155

72468-87-2

Structural Information

Molecular Formula

C₂₃H₂₉NO₂

SMILES

C1CC(CN(C1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C23H29NO2/c25-22-12-8-17-24(19-22)16-6-7-18-26-23-13-5-4-11-21(23)15-14-20-9-2-1-3-10-20/h1-5,9-11,13-15,22,25H,6-8,12,16-19H2/b15-14+

InChIKey

QLOAZMJZUITTOX-CCEZHUSRSA-N

Compound name

1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 351.21982 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.227096	188.5
[M+Na]+	374.209038	190.9
[M-H]-	350.212544	193.4
[M+NH4]+	369.253643	198.5
[M+K]+	390.182978	184.3
[M+H-H2O]+	334.217080	177.7
[M+HCOO]-	396.218021	204.5
[M+CH3COO]-	410.233671	210.8
[M+Na-2H]-	372.194486	189.2
[M]+	351.21927142	184.9
[M]-	351.22036858	184.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe