CID 3087048

Carbamic acid, (3-(hexyloxy)phenyl)-, 2-(morpholino)ethyl ester, monohydrochloride

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₄

SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OCCN2CCOCC2

InChI

InChI=1S/C19H30N2O4/c1-2-3-4-5-12-24-18-8-6-7-17(16-18)20-19(22)25-15-11-21-9-13-23-14-10-21/h6-8,16H,2-5,9-15H2,1H3,(H,20,22)

InChIKey

QHJCFHSYXUONSM-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl N-(3-hexoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 350.22055 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]+	351.227826	187.0
[M+Na]+	373.209768	188.2
[M-H]-	349.213274	190.7
[M+NH4]+	368.254373	196.3
[M+K]+	389.183708	186.7
[M+H-H2O]+	333.217810	176.7
[M+HCOO]-	395.218751	204.1
[M+CH3COO]-	409.234401	213.8
[M+Na-2H]-	371.195216	188.8
[M]+	350.22000142	188.5
[M]-	350.22109858	188.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.