CID 3570202

92449-58-6

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

CCOC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)OC)O

InChI

InChI=1S/C16H17NO3/c1-3-20-14-9-7-13(8-10-14)17-11-12-5-4-6-15(19-2)16(12)18/h4-11,18H,3H2,1-2H3

InChIKey

PXCSZAGGZYACSN-UHFFFAOYSA-N

Compound name

2-[(4-ethoxyphenyl)iminomethyl]-6-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.12085 Da
Monoisotopic Mass: 3.2
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]+	272.128126	161.3
[M+Na]+	294.110068	169.1
[M-H]-	270.113574	168.4
[M+NH4]+	289.154673	177.6
[M+K]+	310.084008	165.9
[M+H-H2O]+	254.118110	153.2
[M+HCOO]-	316.119051	186.9
[M+CH3COO]-	330.134701	201.1
[M+Na-2H]-	292.095516	166.6
[M]+	271.12030142	165.1
[M]-	271.12139858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.