CID 52623

73825-94-2

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C18H22N2O2/c1-20(2)14-13-17(15-9-5-3-6-10-15)22-18(21)19-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,19,21)

InChIKey

OTCYTPWTNYFZGL-UHFFFAOYSA-N

Compound name

[3-(dimethylamino)-1-phenylpropyl] N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 298.16812 Da
Monoisotopic Mass: 3.4
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	172.8
[M+Na]+	321.157338	175.6
[M-H]-	297.160844	179.8
[M+NH4]+	316.201943	187.1
[M+K]+	337.131278	173.7
[M+H-H2O]+	281.165380	163.5
[M+HCOO]-	343.166321	196.9
[M+CH3COO]-	357.181971	210.9
[M+Na-2H]-	319.142786	176.2
[M]+	298.16757142	173.7
[M]-	298.16866858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe