CID 16683111

2085-33-8

Structural Information

Molecular Formula

C₂₇H₁₈AlN₃O₃

SMILES

C1=CC2=C(C(=C1)O[Al](OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2

InChI

InChI=1S/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3

InChIKey

TVIVIEFSHFOWTE-UHFFFAOYSA-K

Compound name

tri(quinolin-8-yloxy)alumane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 9
Patents: 459.11636 Da
Monoisotopic Mass: None
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]+	460.12364	210.8
[M+Na]+	482.10558	231.7
[M+NH4]+	477.15018	219.4
[M+K]+	498.07952	219.8
[M-H]-	458.10908	219.0
[M+Na-2H]-	480.09103	223.1
[M]+	459.11581	216.6
[M]-	459.11691	216.6

Literature stripe

literature stripe

Patent stripe

patents stripe