CID 71316032

1329795-88-1

Structural Information

Molecular Formula

C₂₄H₃₃NO₃

SMILES

COC1=CC=C(C=C1)CCNCC(C2=CC=C(C=C2)OC)C3(CCCCC3)O

InChI

InChI=1S/C24H33NO3/c1-27-21-10-6-19(7-11-21)14-17-25-18-23(24(26)15-4-3-5-16-24)20-8-12-22(28-2)13-9-20/h6-13,23,25-26H,3-5,14-18H2,1-2H3

InChIKey

LZUSDEPYNTZFJD-UHFFFAOYSA-N

Compound name

1-[1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 383.24603 Da
Monoisotopic Mass: 4.9
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]+	384.253306	196.1
[M+Na]+	406.235248	197.4
[M-H]-	382.238754	202.5
[M+NH4]+	401.279853	207.7
[M+K]+	422.209188	193.1
[M+H-H2O]+	366.243290	186.2
[M+HCOO]-	428.244231	213.1
[M+CH3COO]-	442.259881	220.1
[M+Na-2H]-	404.220696	196.8
[M]+	383.24548142	193.7
[M]-	383.24657858	193.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe