CID 139594134

Dimethenamid m32

Structural Information

Molecular Formula
C14H21NO4S2
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)CSCC(=O)O)C
InChI
InChI=1S/C14H21NO4S2/c1-9-6-21-11(3)14(9)15(10(2)5-19-4)12(16)7-20-8-13(17)18/h6,10H,5,7-8H2,1-4H3,(H,17,18)
InChIKey
ADVBUHVIHDMZRT-UHFFFAOYSA-N
Compound name
2-[2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

331.0912 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09848 177.4
[M+Na]+ 354.08042 182.1
[M-H]- 330.08392 180.3
[M+NH4]+ 349.12502 193.2
[M+K]+ 370.05436 179.5
[M+H-H2O]+ 314.08846 170.9
[M+HCOO]- 376.08940 187.6
[M+CH3COO]- 390.10505 210.7
[M+Na-2H]- 352.06587 171.6
[M]+ 331.09065 184.6
[M]- 331.09175 184.6
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.