CID 91744

Dimethenamid

Structural Information

Molecular Formula

C₁₂H₁₈ClNO₂S

SMILES

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

InChI

InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3

InChIKey

JLYFCTQDENRSOL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 28
References: 28090
Patents: 275.07468 Da
Monoisotopic Mass: 2.6
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]+	276.081956	163.4
[M+Na]+	298.063898	171.0
[M-H]-	274.067404	168.9
[M+NH4]+	293.108503	183.6
[M+K]+	314.037838	168.4
[M+H-H2O]+	258.071940	158.3
[M+HCOO]-	320.072881	177.8
[M+CH3COO]-	334.088531	202.6
[M+Na-2H]-	296.049346	160.3
[M]+	275.07413142	171.4
[M]-	275.07522858	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe