CID 460765

Eupolauridine n-oxide

Structural Information

Molecular Formula
C14H8N2O
SMILES
C1=CC=C2C(=C1)C3=NC=CC4=C3C2=[N+](C=C4)[O-]
InChI
InChI=1S/C14H8N2O/c17-16-8-6-9-5-7-15-13-10-3-1-2-4-11(10)14(16)12(9)13/h1-8H
InChIKey
OEFOMVQWNBXRQW-UHFFFAOYSA-N
Compound name
2-oxido-8-aza-2-azoniatetracyclo[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

3
References

0
Patents

220.06366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07094 145.6
[M+Na]+ 243.05288 156.1
[M-H]- 219.05638 148.2
[M+NH4]+ 238.09748 165.4
[M+K]+ 259.02682 145.9
[M+H-H2O]+ 203.06092 142.4
[M+HCOO]- 265.06186 165.2
[M+CH3COO]- 279.07751 182.0
[M+Na-2H]- 241.03833 157.0
[M]+ 220.06311 145.7
[M]- 220.06421 145.7
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

No patent data available for this compound.