CID 3079040

2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-ol

Structural Information

Molecular Formula

C₂₃H₂₁Br₂NO

SMILES

C1C(C(C(NC1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C4=CC=CC=C4)O

InChI

InChI=1S/C23H21Br2NO/c24-18-10-6-15(7-11-18)20-14-21(27)22(16-4-2-1-3-5-16)23(26-20)17-8-12-19(25)13-9-17/h1-13,20-23,26-27H,14H2

InChIKey

FXLMKLWTDDMCBW-UHFFFAOYSA-N

Compound name

2,6-bis(4-bromophenyl)-3-phenylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 484.999 Da
Monoisotopic Mass: 5.5
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]+	486.006276	192.6
[M+Na]+	507.988218	198.7
[M-H]-	483.991724	201.9
[M+NH4]+	503.032823	202.7
[M+K]+	523.962158	182.5
[M+H-H2O]+	467.996260	198.8
[M+HCOO]-	529.997201	201.6
[M+CH3COO]-	544.012851	201.4
[M+Na-2H]-	505.973666	193.6
[M]+	484.99845142	220.7
[M]-	484.99954858	220.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.