CID 44970

63884-81-1

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₂

SMILES

CN(C)C1=CC(=CC=C1)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O2/c1-18(2)14-9-6-10-15(11-14)20-16(19)17-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,17,19)

InChIKey

MKCKNOOVDKDZLA-UHFFFAOYSA-N

Compound name

[3-(dimethylamino)phenyl] N-benzylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.13684 Da
Monoisotopic Mass: 2.9
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]+	271.144116	163.1
[M+Na]+	293.126058	168.1
[M-H]-	269.129564	170.9
[M+NH4]+	288.170663	179.1
[M+K]+	309.099998	166.2
[M+H-H2O]+	253.134100	154.4
[M+HCOO]-	315.135041	189.0
[M+CH3COO]-	329.150691	205.2
[M+Na-2H]-	291.111506	168.1
[M]+	270.13629142	164.4
[M]-	270.13738858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe