CID 139594134

Dimethenamid m32

Structural Information

Molecular Formula

C₁₄H₂₁NO₄S₂

SMILES

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

InChI

InChI=1S/C14H21NO4S2/c1-9-6-21-11(3)14(9)15(10(2)5-19-4)12(16)7-20-8-13(17)18/h6,10H,5,7-8H2,1-4H3,(H,17,18)

InChIKey

ADVBUHVIHDMZRT-UHFFFAOYSA-N

Compound name

2-[2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethyl]sulfanylacetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 331.0912 Da
Monoisotopic Mass: 2.3
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]+	332.098476	177.4
[M+Na]+	354.080418	182.1
[M-H]-	330.083924	180.3
[M+NH4]+	349.125023	193.2
[M+K]+	370.054358	179.5
[M+H-H2O]+	314.088460	170.9
[M+HCOO]-	376.089401	187.6
[M+CH3COO]-	390.105051	210.7
[M+Na-2H]-	352.065866	171.6
[M]+	331.09065142	184.6
[M]-	331.09174858	184.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.