CID 6426850

Dimethenamide esa

Structural Information

Molecular Formula

C₁₂H₁₉NO₅S₂

SMILES

CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)(=O)O)C

InChI

InChI=1S/C12H19NO5S2/c1-8-6-19-10(3)12(8)13(9(2)5-18-4)11(14)7-20(15,16)17/h6,9H,5,7H2,1-4H3,(H,15,16,17)

InChIKey

YMYKMSAZEZQEER-UHFFFAOYSA-N

Compound name

2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 0
Patents: 321.07047 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]+	322.077746	172.5
[M+Na]+	344.059688	178.4
[M-H]-	320.063194	175.7
[M+NH4]+	339.104293	188.6
[M+K]+	360.033628	176.2
[M+H-H2O]+	304.067730	166.6
[M+HCOO]-	366.068671	183.3
[M+CH3COO]-	380.084321	205.8
[M+Na-2H]-	342.045136	169.9
[M]+	321.06992142	179.6
[M]-	321.07101858	179.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.