CID 72016

Efaroxan

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CCC1(CC2=CC=CC=C2O1)C3=NCCN3

InChI

InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)

InChIKey

RATZLMXRALDSJW-UHFFFAOYSA-N

Compound name

2-(2-ethyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 263
References: 2437
Patents: 216.12627 Da
Monoisotopic Mass: 1.7
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]+	217.13355	148.6
[M+Na]+	239.11549	160.3
[M+NH4]+	234.16009	158.7
[M+K]+	255.08943	155.6
[M-H]-	215.11899	152.3
[M+Na-2H]-	237.10094	155.2
[M]+	216.12572	151.4
[M]-	216.12682	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe