CID 28480

17329-19-0

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂

SMILES

C1=COC(=C1)C=NCCCCCCN=CC2=CC=CO2

InChI

InChI=1S/C16H20N2O2/c1(3-9-17-13-15-7-5-11-19-15)2-4-10-18-14-16-8-6-12-20-16/h5-8,11-14H,1-4,9-10H2

InChIKey

LMXJMWBWWSFMLA-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)-N-[6-(furan-2-ylmethylideneamino)hexyl]methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 272.15247 Da
Monoisotopic Mass: 3.0
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]+	273.159746	165.5
[M+Na]+	295.141688	171.8
[M-H]-	271.145194	175.6
[M+NH4]+	290.186293	183.1
[M+K]+	311.115628	171.1
[M+H-H2O]+	255.149730	157.8
[M+HCOO]-	317.150671	195.9
[M+CH3COO]-	331.166321	204.1
[M+Na-2H]-	293.127136	171.6
[M]+	272.15192142	172.9
[M]-	272.15301858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe