CID 3769949

21447-56-3

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃S

SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N

InChI

InChI=1S/C11H16N2O3S/c1-9-2-3-10(8-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3

InChIKey

OGFHXMSWYWAUDF-UHFFFAOYSA-N

Compound name

2-methyl-5-morpholin-4-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.08817 Da
Monoisotopic Mass: 0.4
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]+	257.095446	155.4
[M+Na]+	279.077388	162.2
[M-H]-	255.080894	160.7
[M+NH4]+	274.121993	169.5
[M+K]+	295.051328	159.8
[M+H-H2O]+	239.085430	148.1
[M+HCOO]-	301.086371	169.1
[M+CH3COO]-	315.102021	192.2
[M+Na-2H]-	277.062836	158.9
[M]+	256.08762142	153.9
[M]-	256.08871858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe