CID 11174640

Ethaboxam

Structural Information

Molecular Formula

C₁₄H₁₆N₄OS₂

SMILES

CCC1=C(SC(=N1)NCC)C(=O)NC(C#N)C2=CC=CS2

InChI

InChI=1S/C14H16N4OS2/c1-3-9-12(21-14(18-9)16-4-2)13(19)17-10(8-15)11-6-5-7-20-11/h5-7,10H,3-4H2,1-2H3,(H,16,18)(H,17,19)

InChIKey

NQRFDNJEBWAUBL-UHFFFAOYSA-N

Compound name

N-[cyano(thiophen-2-yl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 25231
Patents: 320.07657 Da
Monoisotopic Mass: 3.3
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]+	321.08385	184.2
[M+Na]+	343.06579	194.2
[M-H]-	319.06929	189.6
[M+NH4]+	338.11039	199.4
[M+K]+	359.03973	189.6
[M+H-H2O]+	303.07383	170.1
[M+HCOO]-	365.07477	196.0
[M+CH3COO]-	379.09042	217.3
[M+Na-2H]-	341.05124	180.8
[M]+	320.07602	183.3
[M]-	320.07712	183.3

Literature stripe

literature stripe

Patent stripe

patents stripe