CID 3867121

727694-66-8

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₃S

SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N

InChI

InChI=1S/C12H19N3O3S/c1-2-14-12-4-3-10(9-11(12)13)19(16,17)15-5-7-18-8-6-15/h3-4,9,14H,2,5-8,13H2,1H3

InChIKey

DGQWBLSNJWYMSD-UHFFFAOYSA-N

Compound name

1-N-ethyl-4-morpholin-4-ylsulfonylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.11472 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]+	286.121996	163.2
[M+Na]+	308.103938	168.6
[M-H]-	284.107444	168.1
[M+NH4]+	303.148543	175.6
[M+K]+	324.077878	165.8
[M+H-H2O]+	268.111980	155.2
[M+HCOO]-	330.112921	177.5
[M+CH3COO]-	344.128571	200.5
[M+Na-2H]-	306.089386	166.9
[M]+	285.11417142	161.2
[M]-	285.11526858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.