CID 3087044

Carbamic acid, (4-(pentyloxy)phenyl)-, 2-(4-morpholinyl)ethyl ester, monohydrochloride

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₄

SMILES

CCCCCOC1=CC=C(C=C1)NC(=O)OCCN2CCOCC2

InChI

InChI=1S/C18H28N2O4/c1-2-3-4-12-23-17-7-5-16(6-8-17)19-18(21)24-15-11-20-9-13-22-14-10-20/h5-8H,2-4,9-15H2,1H3,(H,19,21)

InChIKey

LZTRYGGRZCVGSP-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl N-(4-pentoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 336.2049 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]+	337.212176	182.5
[M+Na]+	359.194118	184.2
[M-H]-	335.197624	186.5
[M+NH4]+	354.238723	192.4
[M+K]+	375.168058	182.9
[M+H-H2O]+	319.202160	172.5
[M+HCOO]-	381.203101	200.0
[M+CH3COO]-	395.218751	210.8
[M+Na-2H]-	357.179566	184.9
[M]+	336.20435142	183.7
[M]-	336.20544858	183.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.