CID 139597015

Dimethenamid m31

Structural Information

Molecular Formula
C14H21NO5S2
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)CC(=O)O)C
InChI
InChI=1S/C14H21NO5S2/c1-9-6-21-11(3)14(9)15(10(2)5-20-4)12(16)7-22(19)8-13(17)18/h6,10H,5,7-8H2,1-4H3,(H,17,18)
InChIKey
RZFZJWSRFOHTAL-UHFFFAOYSA-N
Compound name
2-[2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethyl]sulfinylacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

347.08612 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.093396 180.2
[M+Na]+ 370.075338 184.3
[M-H]- 346.078844 182.9
[M+NH4]+ 365.119943 194.9
[M+K]+ 386.049278 182.3
[M+H-H2O]+ 330.083380 173.7
[M+HCOO]- 392.084321 189.6
[M+CH3COO]- 406.099971 212.9
[M+Na-2H]- 368.060786 173.7
[M]+ 347.08557142 187.4
[M]- 347.08666858 187.4
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.