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]+ 266.09238 160.3
[M+Na]+ 288.07432 171.4
[M-H]- 264.07782 160.9
[M+NH4]+ 283.11892 174.8
[M+K]+ 304.04826 155.1
[M+H-H2O]+ 248.08236 160.9
[M+HCOO]- 310.08330 177.6
[M+CH3COO]- 324.09895 180.1
[M+Na-2H]- 286.05977 172.4
[M]+ 265.08455 158.4
[M]- 265.08565 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.