CID 49512

67195-93-1

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CC(C)(CNC1CCCCC1)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O2/c1-17(2,13-18-14-9-5-3-6-10-14)21-16(20)19-15-11-7-4-8-12-15/h4,7-8,11-12,14,18H,3,5-6,9-10,13H2,1-2H3,(H,19,20)

InChIKey

UEIUNTRVWRUHPT-UHFFFAOYSA-N

Compound name

[1-(cyclohexylamino)-2-methylpropan-2-yl] N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.19943 Da
Monoisotopic Mass: 3.5
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]+	291.206706	169.8
[M+Na]+	313.188648	170.6
[M-H]-	289.192154	174.6
[M+NH4]+	308.233253	183.9
[M+K]+	329.162588	168.2
[M+H-H2O]+	273.196690	161.6
[M+HCOO]-	335.197631	188.9
[M+CH3COO]-	349.213281	205.2
[M+Na-2H]-	311.174096	173.8
[M]+	290.19888142	165.1
[M]-	290.19997858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.