CID 139597909

Dimethenamid m11

Structural Information

Molecular Formula

C₁₂H₁₉NO₃S

SMILES

CC1=CSC(=C1N(C(C)COC)C(=O)CO)C

InChI

InChI=1S/C12H19NO3S/c1-8-7-17-10(3)12(8)13(11(15)5-14)9(2)6-16-4/h7,9,14H,5-6H2,1-4H3

InChIKey

XVDHGNBVOSOGPG-UHFFFAOYSA-N

Compound name

N-(2,4-dimethylthiophen-3-yl)-2-hydroxy-N-(1-methoxypropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 257.10855 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.115826	160.5
[M+Na]+	280.097768	166.7
[M-H]-	256.101274	164.4
[M+NH4]+	275.142373	179.6
[M+K]+	296.071708	165.7
[M+H-H2O]+	240.105810	154.5
[M+HCOO]-	302.106751	178.1
[M+CH3COO]-	316.122401	198.4
[M+Na-2H]-	278.083216	157.5
[M]+	257.10800142	166.1
[M]-	257.10909858	166.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.