CID 95255

3-diethylaminophenyl n-phenylcarbamate

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂

SMILES

CCN(CC)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O2/c1-3-19(4-2)15-11-8-12-16(13-15)21-17(20)18-14-9-6-5-7-10-14/h5-13H,3-4H2,1-2H3,(H,18,20)

InChIKey

AOKVQWYUEJOJHX-UHFFFAOYSA-N

Compound name

[3-(diethylamino)phenyl] N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.15247 Da
Monoisotopic Mass: 4.2
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]+	285.159746	167.7
[M+Na]+	307.141688	172.3
[M-H]-	283.145194	175.3
[M+NH4]+	302.186293	183.1
[M+K]+	323.115628	170.1
[M+H-H2O]+	267.149730	158.8
[M+HCOO]-	329.150671	193.3
[M+CH3COO]-	343.166321	208.2
[M+Na-2H]-	305.127136	172.2
[M]+	284.15192142	169.4
[M]-	284.15301858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.