CID 42258

Chinoin 103

Structural Information

Molecular Formula

C₂₀H₂₇NO₂

SMILES

C1CCC(CC1)NCCC(COC2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C20H27NO2/c22-18(13-14-21-17-9-2-1-3-10-17)15-23-20-12-6-8-16-7-4-5-11-19(16)20/h4-8,11-12,17-18,21-22H,1-3,9-10,13-15H2

InChIKey

VURUWFSVRBGGPO-UHFFFAOYSA-N

Compound name

4-(cyclohexylamino)-1-naphthalen-1-yloxybutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 64
Patents: 313.2042 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]+	314.21148	174.7
[M+Na]+	336.19342	176.0
[M-H]-	312.19692	178.7
[M+NH4]+	331.23802	188.3
[M+K]+	352.16736	171.4
[M+H-H2O]+	296.20146	166.0
[M+HCOO]-	358.20240	191.4
[M+CH3COO]-	372.21805	207.2
[M+Na-2H]-	334.17887	177.9
[M]+	313.20365	170.2
[M]-	313.20475	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe