CID 28276

Carbanilic acid, o-methyl-, 2-(diethylamino)cyclohexyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₂

SMILES

CCN(CC)C1CCCCC1OC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C18H28N2O2/c1-4-20(5-2)16-12-8-9-13-17(16)22-18(21)19-15-11-7-6-10-14(15)3/h6-7,10-11,16-17H,4-5,8-9,12-13H2,1-3H3,(H,19,21)

InChIKey

NOUXSKREGMIIAL-UHFFFAOYSA-N

Compound name

[2-(diethylamino)cyclohexyl] N-(2-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.2151 Da
Monoisotopic Mass: 4.0
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]+	305.222376	175.6
[M+Na]+	327.204318	177.6
[M-H]-	303.207824	182.1
[M+NH4]+	322.248923	190.2
[M+K]+	343.178258	175.8
[M+H-H2O]+	287.212360	166.8
[M+HCOO]-	349.213301	196.4
[M+CH3COO]-	363.228951	213.5
[M+Na-2H]-	325.189766	175.9
[M]+	304.21455142	173.7
[M]-	304.21564858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.