CID 3047778

Nafoxadol

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

C1C2COC(O2)(CN1)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C15H15NO2/c1-2-4-12-7-13(6-5-11(12)3-1)15-10-16-8-14(18-15)9-17-15/h1-7,14,16H,8-10H2

InChIKey

CQBDDBLIDNKCRV-UHFFFAOYSA-N

Compound name

5-naphthalen-2-yl-6,8-dioxa-3-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 45
Patents: 241.11028 Da
Monoisotopic Mass: 1.8
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]+	242.117556	150.9
[M+Na]+	264.099498	158.0
[M-H]-	240.103004	156.0
[M+NH4]+	259.144103	169.6
[M+K]+	280.073438	155.4
[M+H-H2O]+	224.107540	143.6
[M+HCOO]-	286.108481	165.2
[M+CH3COO]-	300.124131	162.5
[M+Na-2H]-	262.084946	159.4
[M]+	241.10973142	148.3
[M]-	241.11082858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe