CID 4388857

4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃S

SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H18N2O3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8,13H2,1-2H3

InChIKey

ZHDKFRBHCZXAJB-UHFFFAOYSA-N

Compound name

4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 270.10382 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]+	271.111096	159.9
[M+Na]+	293.093038	167.1
[M-H]-	269.096544	165.4
[M+NH4]+	288.137643	173.7
[M+K]+	309.066978	164.6
[M+H-H2O]+	253.101080	152.6
[M+HCOO]-	315.102021	173.2
[M+CH3COO]-	329.117671	196.5
[M+Na-2H]-	291.078486	162.3
[M]+	270.10327142	159.2
[M]-	270.10436858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe