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
5
Annotation Hits

0
References

0
Patents

321.07047 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07775 172.5
[M+Na]+ 344.05969 178.4
[M-H]- 320.06319 175.7
[M+NH4]+ 339.10429 188.6
[M+K]+ 360.03363 176.2
[M+H-H2O]+ 304.06773 166.6
[M+HCOO]- 366.06867 183.3
[M+CH3COO]- 380.08432 205.8
[M+Na-2H]- 342.04514 169.9
[M]+ 321.06992 179.6
[M]- 321.07102 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.