CID 24212762

3-chloro-n-(2-ethyl-6-methylphenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula

C₁₄H₁₄ClNOS

SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(C=CS2)Cl)C

InChI

InChI=1S/C14H14ClNOS/c1-3-10-6-4-5-9(2)12(10)16-14(17)13-11(15)7-8-18-13/h4-8H,3H2,1-2H3,(H,16,17)

InChIKey

RVNKVMAYYRTNSF-UHFFFAOYSA-N

Compound name

3-chloro-N-(2-ethyl-6-methylphenyl)thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.04846 Da
Monoisotopic Mass: 4.6
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]+	280.055736	162.8
[M+Na]+	302.037678	172.5
[M-H]-	278.041184	170.5
[M+NH4]+	297.082283	182.4
[M+K]+	318.011618	166.5
[M+H-H2O]+	262.045720	157.3
[M+HCOO]-	324.046661	178.7
[M+CH3COO]-	338.062311	199.0
[M+Na-2H]-	300.023126	162.1
[M]+	279.04791142	167.7
[M]-	279.04900858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.