CID 99740

19247-68-8

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=COC(=C1)C=NC2=CC=C(C=C2)N=CC3=CC=CO3

InChI

InChI=1S/C16H12N2O2/c1-3-15(19-9-1)11-17-13-5-7-14(8-6-13)18-12-16-4-2-10-20-16/h1-12H

InChIKey

ZEJSGZOZUFRALE-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)-N-[4-(furan-2-ylmethylideneamino)phenyl]methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.08987 Da
Monoisotopic Mass: 3.3
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]+	265.097146	158.4
[M+Na]+	287.079088	167.2
[M-H]-	263.082594	172.9
[M+NH4]+	282.123693	176.3
[M+K]+	303.053028	166.0
[M+H-H2O]+	247.087130	150.9
[M+HCOO]-	309.088071	190.3
[M+CH3COO]-	323.103721	173.3
[M+Na-2H]-	285.064536	165.8
[M]+	264.08932142	163.9
[M]-	264.09041858	163.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.