CID 139596188

Dimethenamid m30

Structural Information

Molecular Formula
C15H23NO6S2
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)CC(C(=O)O)O)C
InChI
InChI=1S/C15H23NO6S2/c1-9-6-23-11(3)14(9)16(10(2)5-22-4)13(18)8-24(21)7-12(17)15(19)20/h6,10,12,17H,5,7-8H2,1-4H3,(H,19,20)
InChIKey
NBJGYUYXYOIYKS-UHFFFAOYSA-N
Compound name
3-[2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethyl]sulfinyl-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

377.09668 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.103956 186.8
[M+Na]+ 400.085898 189.2
[M-H]- 376.089404 187.8
[M+NH4]+ 395.130503 199.3
[M+K]+ 416.059838 187.5
[M+H-H2O]+ 360.093940 180.4
[M+HCOO]- 422.094881 193.6
[M+CH3COO]- 436.110531 216.6
[M+Na-2H]- 398.071346 179.2
[M]+ 377.09613142 193.3
[M]- 377.09722858 193.3
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.