CID 9578763

Schembl13606768

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

CC1=CC=C(C=C1)/C(=N\OC)/C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H15NO2/c1-12-7-9-13(10-8-12)17(18-19-2)16-11-14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b18-17+

InChIKey

WLVUGWCFDFRUQO-ISLYRVAYSA-N

Compound name

(E)-1-(1-benzofuran-2-yl)-N-methoxy-1-(4-methylphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 265.1103 Da
Monoisotopic Mass: 4.9
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]+	266.11758	159.9
[M+Na]+	288.09952	169.2
[M-H]-	264.10302	170.3
[M+NH4]+	283.14412	178.5
[M+K]+	304.07346	166.6
[M+H-H2O]+	248.10756	152.5
[M+HCOO]-	310.10850	186.6
[M+CH3COO]-	324.12415	173.9
[M+Na-2H]-	286.08497	166.7
[M]+	265.10975	165.0
[M]-	265.11085	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe