CID 135460250

Nsc65806

Structural Information

Molecular Formula
C15H11N3O2
SMILES
CC1=CC2=C(C=C1)NC3=[N+](C4=CC=CC=C4[N+](=C23)[O-])[O-]
InChI
InChI=1S/C15H11N3O2/c1-9-6-7-11-10(8-9)14-15(16-11)18(20)13-5-3-2-4-12(13)17(14)19/h2-8,16H,1H3
InChIKey
YIWBQVMLNMUWGG-UHFFFAOYSA-N
Compound name
9-methyl-5,11-dioxido-6H-indolo[3,2-b]quinoxaline-5,11-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0851 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.092376 160.3
[M+Na]+ 288.074318 171.4
[M-H]- 264.077824 160.9
[M+NH4]+ 283.118923 174.8
[M+K]+ 304.048258 155.1
[M+H-H2O]+ 248.082360 160.9
[M+HCOO]- 310.083301 177.6
[M+CH3COO]- 324.098951 180.1
[M+Na-2H]- 286.059766 172.4
[M]+ 265.08455142 158.4
[M]- 265.08564858 158.4
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.