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]+ 348.09340 180.2
[M+Na]+ 370.07534 184.3
[M-H]- 346.07884 182.9
[M+NH4]+ 365.11994 194.9
[M+K]+ 386.04928 182.3
[M+H-H2O]+ 330.08338 173.7
[M+HCOO]- 392.08432 189.6
[M+CH3COO]- 406.09997 212.9
[M+Na-2H]- 368.06079 173.7
[M]+ 347.08557 187.4
[M]- 347.08667 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.