CID 43295

60529-87-5

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₃

SMILES

CCCOC1=CC=CC=C1NC(=O)OCCN2CCCCCC2

InChI

InChI=1S/C18H28N2O3/c1-2-14-22-17-10-6-5-9-16(17)19-18(21)23-15-13-20-11-7-3-4-8-12-20/h5-6,9-10H,2-4,7-8,11-15H2,1H3,(H,19,21)

InChIKey

ZROCLOSICGARRW-UHFFFAOYSA-N

Compound name

2-(azepan-1-yl)ethyl N-(2-propoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 320.21 Da
Monoisotopic Mass: 3.6
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]+	321.217276	175.5
[M+Na]+	343.199218	175.8
[M-H]-	319.202724	180.0
[M+NH4]+	338.243823	186.6
[M+K]+	359.173158	178.2
[M+H-H2O]+	303.207260	166.4
[M+HCOO]-	365.208201	193.2
[M+CH3COO]-	379.223851	208.7
[M+Na-2H]-	341.184666	176.8
[M]+	320.20945142	171.6
[M]-	320.21054858	171.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.