CID 336713

77362-16-4

Structural Information

Molecular Formula
C17H13N3O2
SMILES
CN1C=C2C(=C1C3=CC=CC=C3)[N+](=O)C4=CC=CC=C4N2[O-]
InChI
InChI=1S/C17H13N3O2/c1-18-11-15-17(16(18)12-7-3-2-4-8-12)20(22)14-10-6-5-9-13(14)19(15)21/h2-11H,1H3
InChIKey
MAYDOOGBFQXVNV-UHFFFAOYSA-N
Compound name
2-methyl-9-oxido-3-phenylpyrrolo[3,4-b]quinoxalin-4-ium 4-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 167.4
[M+Na]+ 314.08999 179.2
[M-H]- 290.09349 172.3
[M+NH4]+ 309.13459 181.8
[M+K]+ 330.06393 167.8
[M+H-H2O]+ 274.09803 162.3
[M+HCOO]- 336.09897 187.5
[M+CH3COO]- 350.11462 193.9
[M+Na-2H]- 312.07544 175.8
[M]+ 291.10022 168.4
[M]- 291.10132 168.4
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.