CID 57330099

Jw 480

Structural Information

Molecular Formula

C₂₂H₂₃NO₂

SMILES

CC(C)C1=CC=CC=C1OC(=O)NCCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H23NO2/c1-16(2)20-9-5-6-10-21(20)25-22(24)23-14-13-17-11-12-18-7-3-4-8-19(18)15-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24)

InChIKey

PCNJGBMWAZRVEA-UHFFFAOYSA-N

Compound name

(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 5
Patents: 333.17288 Da
Monoisotopic Mass: 5.8
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]+	334.18016	181.8
[M+Na]+	356.16210	186.7
[M-H]-	332.16560	188.6
[M+NH4]+	351.20670	195.8
[M+K]+	372.13604	182.0
[M+H-H2O]+	316.17014	172.6
[M+HCOO]-	378.17108	202.7
[M+CH3COO]-	392.18673	214.5
[M+Na-2H]-	354.14755	185.2
[M]+	333.17233	182.9
[M]-	333.17343	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe