CID 72486

Eupolauridine

Structural Information

Molecular Formula

C₁₄H₈N₂

SMILES

C1=CC=C2C(=C1)C3=NC=CC4=C3C2=NC=C4

InChI

InChI=1S/C14H8N2/c1-2-4-11-10(3-1)13-12-9(5-7-15-13)6-8-16-14(11)12/h1-8H

InChIKey

KIVUUVOREYMMFE-UHFFFAOYSA-N

Compound name

2,8-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 190
Patents: 204.06874 Da
Monoisotopic Mass: 2.4
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]+	205.07602	141.8
[M+Na]+	227.05796	153.1
[M-H]-	203.06146	145.4
[M+NH4]+	222.10256	163.4
[M+K]+	243.03190	147.4
[M+H-H2O]+	187.06600	133.8
[M+HCOO]-	249.06694	162.4
[M+CH3COO]-	263.08259	155.4
[M+Na-2H]-	225.04341	152.4
[M]+	204.06819	144.1
[M]-	204.06929	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe