CID 53841

Brn 2749869

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₂

SMILES

CN(CCC1=CC=CC=C1)CCOC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O2/c1-20(13-12-16-8-4-2-5-9-16)14-15-22-18(21)19-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,19,21)

InChIKey

YFJMJSOJMZDCLC-UHFFFAOYSA-N

Compound name

2-[methyl(2-phenylethyl)amino]ethyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.16812 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]+	299.175396	172.2
[M+Na]+	321.157338	175.4
[M-H]-	297.160844	179.1
[M+NH4]+	316.201943	186.6
[M+K]+	337.131278	172.9
[M+H-H2O]+	281.165380	162.8
[M+HCOO]-	343.166321	197.4
[M+CH3COO]-	357.181971	210.0
[M+Na-2H]-	319.142786	176.8
[M]+	298.16757142	173.7
[M]-	298.16866858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.