CID 2223020

Cbmicro_001415

Structural Information

Molecular Formula
C21H21NO2
SMILES
CC1=CC=CC=C1OCCNC(=O)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H21NO2/c1-16-7-2-5-12-20(16)24-14-13-22-21(23)15-18-10-6-9-17-8-3-4-11-19(17)18/h2-12H,13-15H2,1H3,(H,22,23)
InChIKey
BYOAFSIQBODMPU-UHFFFAOYSA-N
Compound name
N-[2-(2-methylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.164506 176.6
[M+Na]+ 342.146448 182.3
[M-H]- 318.149954 183.5
[M+NH4]+ 337.191053 191.2
[M+K]+ 358.120388 177.2
[M+H-H2O]+ 302.154490 167.5
[M+HCOO]- 364.155431 198.9
[M+CH3COO]- 378.171081 211.3
[M+Na-2H]- 340.131896 181.8
[M]+ 319.15668142 178.1
[M]- 319.15777858 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.