CID 2741886

N-{2-[(4-chlorobenzyl)thio]ethyl}-2-furamide

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂S

SMILES

C1=COC(=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClNO2S/c15-12-5-3-11(4-6-12)10-19-9-7-16-14(17)13-2-1-8-18-13/h1-6,8H,7,9-10H2,(H,16,17)

InChIKey

ZLSVDRZOHUGDIR-UHFFFAOYSA-N

Compound name

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 295.04337 Da
Monoisotopic Mass: 3.0
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]+	296.050646	167.2
[M+Na]+	318.032588	175.1
[M-H]-	294.036094	174.8
[M+NH4]+	313.077193	184.2
[M+K]+	334.006528	170.6
[M+H-H2O]+	278.040630	161.2
[M+HCOO]-	340.041571	182.5
[M+CH3COO]-	354.057221	198.7
[M+Na-2H]-	316.018036	168.6
[M]+	295.04282142	173.1
[M]-	295.04391858	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe