CID 3058888

Brn 4493885

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C3=NCCN3

InChI

InChI=1S/C14H14N2O3S/c1-10-2-4-11(5-3-10)20(17,18)13-7-6-12(19-13)14-15-8-9-16-14/h2-7H,8-9H2,1H3,(H,15,16)

InChIKey

KQRAPLWSPDOJBD-UHFFFAOYSA-N

Compound name

2-[5-(4-methylphenyl)sulfonylfuran-2-yl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.0725 Da
Monoisotopic Mass: 1.8
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]+	291.079776	164.6
[M+Na]+	313.061718	174.4
[M-H]-	289.065224	172.6
[M+NH4]+	308.106323	179.8
[M+K]+	329.035658	171.1
[M+H-H2O]+	273.069760	158.3
[M+HCOO]-	335.070701	180.5
[M+CH3COO]-	349.086351	176.9
[M+Na-2H]-	311.047166	165.4
[M]+	290.07195142	166.9
[M]-	290.07304858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.