CID 294576

9-nitroacenaphtho[1,2-b]quinoxaline

Structural Information

Molecular Formula
C18H9N3O2
SMILES
C1=CC2=C3C(=C1)C4=NC5=C(C=C(C=C5)[N+](=O)[O-])N=C4C3=CC=C2
InChI
InChI=1S/C18H9N3O2/c22-21(23)11-7-8-14-15(9-11)20-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)19-14/h1-9H
InChIKey
VYNABXPWCQGLHT-UHFFFAOYSA-N
Compound name
9-nitroacenaphthyleno[1,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0695 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.07678 163.2
[M+Na]+ 322.05872 173.4
[M-H]- 298.06222 168.3
[M+NH4]+ 317.10332 180.5
[M+K]+ 338.03266 163.1
[M+H-H2O]+ 282.06676 158.2
[M+HCOO]- 344.06770 183.7
[M+CH3COO]- 358.08335 202.1
[M+Na-2H]- 320.04417 175.5
[M]+ 299.06895 166.0
[M]- 299.07005 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.