CID 50063

2-(dimethylamino)ethyl m-(hexyloxy)carbanilate hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₈N₂O₃

SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OCCN(C)C

InChI

InChI=1S/C17H28N2O3/c1-4-5-6-7-12-21-16-10-8-9-15(14-16)18-17(20)22-13-11-19(2)3/h8-10,14H,4-7,11-13H2,1-3H3,(H,18,20)

InChIKey

MHDLOXRQTCHYGH-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl N-(3-hexoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.21 Da
Monoisotopic Mass: 3.8
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]+	309.217276	177.6
[M+Na]+	331.199218	180.8
[M-H]-	307.202724	181.4
[M+NH4]+	326.243823	192.4
[M+K]+	347.173158	179.8
[M+H-H2O]+	291.207260	169.0
[M+HCOO]-	353.208201	201.8
[M+CH3COO]-	367.223851	214.6
[M+Na-2H]-	329.184666	179.3
[M]+	308.20945142	183.3
[M]-	308.21054858	183.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.