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]+ 362.10906 184.4
[M+Na]+ 384.09100 187.3
[M-H]- 360.09450 185.5
[M+NH4]+ 379.13560 197.9
[M+K]+ 400.06494 185.0
[M+H-H2O]+ 344.09904 177.9
[M+HCOO]- 406.09998 191.9
[M+CH3COO]- 420.11563 214.2
[M+Na-2H]- 382.07645 177.3
[M]+ 361.10123 190.8
[M]- 361.10233 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.