CID 246787

26801-94-5

Structural Information

Molecular Formula
C18H10N2O2
SMILES
C1=CC=C2C(=C1)N(C3=C([N+]2=O)C4=CC=CC5=C4C3=CC=C5)[O-]
InChI
InChI=1S/C18H10N2O2/c21-19-14-9-1-2-10-15(14)20(22)18-13-8-4-6-11-5-3-7-12(16(11)13)17(18)19/h1-10H
InChIKey
ZWFRYWBKBPEWTP-UHFFFAOYSA-N
Compound name
12-oxidoacenaphthyleno[2,1-b]quinoxalin-7-ium 7-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.07422 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08150 162.9
[M+Na]+ 309.06344 174.9
[M-H]- 285.06694 167.2
[M+NH4]+ 304.10804 180.9
[M+K]+ 325.03738 163.3
[M+H-H2O]+ 269.07148 158.4
[M+HCOO]- 331.07242 181.9
[M+CH3COO]- 345.08807 195.5
[M+Na-2H]- 307.04889 174.2
[M]+ 286.07367 165.6
[M]- 286.07477 165.6
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

patents stripe