CID 242250

56807-17-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₄S

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N

InChI

InChI=1S/C11H16N2O4S/c1-16-11-3-2-9(8-10(11)12)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7,12H2,1H3

InChIKey

YIEVSJJAWVBFTE-UHFFFAOYSA-N

Compound name

2-methoxy-5-morpholin-4-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 272.08307 Da
Monoisotopic Mass: 0.6
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]+	273.09035	158.2
[M+Na]+	295.07229	168.4
[M+NH4]+	290.11689	164.7
[M+K]+	311.04623	162.8
[M-H]-	271.07579	161.4
[M+Na-2H]-	293.05774	163.0
[M]+	272.08252	160.8
[M]-	272.08362	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe