CID 139595154

Dimethenamid m26

Structural Information

Molecular Formula
C15H23NO5S2
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)CSCC(C(=O)O)O)C
InChI
InChI=1S/C15H23NO5S2/c1-9-6-23-11(3)14(9)16(10(2)5-21-4)13(18)8-22-7-12(17)15(19)20/h6,10,12,17H,5,7-8H2,1-4H3,(H,19,20)
InChIKey
GVLRFRLSARPXCO-UHFFFAOYSA-N
Compound name
3-[2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethyl]sulfanyl-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

361.10178 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.109056 184.4
[M+Na]+ 384.090998 187.3
[M-H]- 360.094504 185.5
[M+NH4]+ 379.135603 197.9
[M+K]+ 400.064938 185.0
[M+H-H2O]+ 344.099040 177.9
[M+HCOO]- 406.099981 191.9
[M+CH3COO]- 420.115631 214.2
[M+Na-2H]- 382.076446 177.3
[M]+ 361.10123142 190.8
[M]- 361.10232858 190.8
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.