CID 139596188

Dimethenamid m30

Structural Information

Molecular Formula
C15H23NO6S2
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)CS(=O)CC(C(=O)O)O)C
InChI
InChI=1S/C15H23NO6S2/c1-9-6-23-11(3)14(9)16(10(2)5-22-4)13(18)8-24(21)7-12(17)15(19)20/h6,10,12,17H,5,7-8H2,1-4H3,(H,19,20)
InChIKey
NBJGYUYXYOIYKS-UHFFFAOYSA-N
Compound name
3-[2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethyl]sulfinyl-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

377.09668 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10396 186.8
[M+Na]+ 400.08590 189.2
[M-H]- 376.08940 187.8
[M+NH4]+ 395.13050 199.3
[M+K]+ 416.05984 187.5
[M+H-H2O]+ 360.09394 180.4
[M+HCOO]- 422.09488 193.6
[M+CH3COO]- 436.11053 216.6
[M+Na-2H]- 398.07135 179.2
[M]+ 377.09613 193.3
[M]- 377.09723 193.3
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.