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]+ 292.108046 167.4
[M+Na]+ 314.089988 179.2
[M-H]- 290.093494 172.3
[M+NH4]+ 309.134593 181.8
[M+K]+ 330.063928 167.8
[M+H-H2O]+ 274.098030 162.3
[M+HCOO]- 336.098971 187.5
[M+CH3COO]- 350.114621 193.9
[M+Na-2H]- 312.075436 175.8
[M]+ 291.10022142 168.4
[M]- 291.10131858 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.