CID 559410

3-(morpholine-4-sulfonyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃S

SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)N

InChI

InChI=1S/C10H14N2O3S/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7,11H2

InChIKey

FKFOJDYRQYJURJ-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 233
Patents: 242.07251 Da
Monoisotopic Mass: 0.0
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]+	243.079786	150.7
[M+Na]+	265.061728	157.1
[M-H]-	241.065234	155.9
[M+NH4]+	260.106333	165.1
[M+K]+	281.035668	154.9
[M+H-H2O]+	225.069770	143.4
[M+HCOO]-	287.070711	164.8
[M+CH3COO]-	301.086361	188.0
[M+Na-2H]-	263.047176	155.4
[M]+	242.07196142	148.4
[M]-	242.07305858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe