CID 619566

333435-40-8

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)N

InChI

InChI=1S/C16H13NO2/c1-10-6-8-11(9-7-10)15(18)16-14(17)12-4-2-3-5-13(12)19-16/h2-9H,17H2,1H3

InChIKey

XWDKAEJDRNLHKY-UHFFFAOYSA-N

Compound name

(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 2
Patents: 251.09464 Da
Monoisotopic Mass: 4.2
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]+	252.10192	155.7
[M+Na]+	274.08386	165.8
[M-H]-	250.08736	164.8
[M+NH4]+	269.12846	174.1
[M+K]+	290.05780	162.3
[M+H-H2O]+	234.09190	149.0
[M+HCOO]-	296.09284	180.6
[M+CH3COO]-	310.10849	169.6
[M+Na-2H]-	272.06931	160.9
[M]+	251.09409	158.2
[M]-	251.09519	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe