CID 2185728

Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester

Structural Information

Molecular Formula

C₁₆H₂₅N₃O₅S

SMILES

CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCOCC2

InChI

InChI=1S/C16H25N3O5S/c1-2-24-16(20)18-14-4-6-15(7-5-14)25(21,22)17-8-3-9-19-10-12-23-13-11-19/h4-7,17H,2-3,8-13H2,1H3,(H,18,20)

InChIKey

LQQQFQDNXIPRGC-UHFFFAOYSA-N

Compound name

ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 371.1515 Da
Monoisotopic Mass: 0.9
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]+	372.158776	184.5
[M+Na]+	394.140718	186.7
[M-H]-	370.144224	188.8
[M+NH4]+	389.185323	193.0
[M+K]+	410.114658	184.7
[M+H-H2O]+	354.148760	175.3
[M+HCOO]-	416.149701	197.7
[M+CH3COO]-	430.165351	215.1
[M+Na-2H]-	392.126166	187.7
[M]+	371.15095142	185.8
[M]-	371.15204858	185.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.