CID 3870903

2-(morpholin-4-yl)-5-(piperidine-1-sulfonyl)aniline

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₃S

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)N

InChI

InChI=1S/C15H23N3O3S/c16-14-12-13(22(19,20)18-6-2-1-3-7-18)4-5-15(14)17-8-10-21-11-9-17/h4-5,12H,1-3,6-11,16H2

InChIKey

SWWOIEPBBNXTQP-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-5-piperidin-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 325.14603 Da
Monoisotopic Mass: 1.0
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]+	326.153306	174.4
[M+Na]+	348.135248	177.8
[M-H]-	324.138754	179.9
[M+NH4]+	343.179853	183.5
[M+K]+	364.109188	174.5
[M+H-H2O]+	308.143290	165.0
[M+HCOO]-	370.144231	182.7
[M+CH3COO]-	384.159881	204.4
[M+Na-2H]-	346.120696	175.8
[M]+	325.14548142	168.0
[M]-	325.14657858	168.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.