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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07602 142.1
[M+Na]+ 227.05796 159.4
[M+NH4]+ 222.10256 153.5
[M+K]+ 243.03190 151.6
[M-H]- 203.06146 146.0
[M+Na-2H]- 225.04341 150.1
[M]+ 204.06819 146.0
[M]- 204.06929 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe