CID 3272524

Nbqx

Structural Information

Molecular Formula
C12H8N4O6S
SMILES
C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3
InChI
InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)
InChIKey
UQNAFPHGVPVTAL-UHFFFAOYSA-N
Compound name
6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1291
References

2896
Patents

336.01645 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02373 163.6
[M+Na]+ 359.00567 176.8
[M+NH4]+ 354.05027 168.2
[M+K]+ 374.97961 174.2
[M-H]- 335.00917 164.1
[M+Na-2H]- 356.99112 167.8
[M]+ 336.01590 165.6
[M]- 336.01700 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

literature stripe

Patent stripe

patents stripe