CID 49522

77944-92-4

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂

SMILES

CC(CCC1=CC=CC=C1)(CN(C)C)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O2/c1-20(16-22(2)3,15-14-17-10-6-4-7-11-17)24-19(23)21-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H,21,23)

InChIKey

JHGJKUINNINEFK-UHFFFAOYSA-N

Compound name

[1-(dimethylamino)-2-methyl-4-phenylbutan-2-yl] N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.19943 Da
Monoisotopic Mass: 4.1
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]+	327.206706	180.9
[M+Na]+	349.188648	183.7
[M-H]-	325.192154	187.8
[M+NH4]+	344.233253	194.4
[M+K]+	365.162588	181.3
[M+H-H2O]+	309.196690	171.8
[M+HCOO]-	371.197631	203.8
[M+CH3COO]-	385.213281	216.3
[M+Na-2H]-	347.174096	185.4
[M]+	326.19888142	182.7
[M]-	326.19997858	182.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.