CID 3272524
118876-58-7
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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 337.02373 | 164.5 |
[M+Na]+ | 359.00567 | 174.5 |
[M-H]- | 335.00917 | 165.7 |
[M+NH4]+ | 354.05027 | 175.0 |
[M+K]+ | 374.97961 | 164.1 |
[M+H-H2O]+ | 319.01371 | 161.9 |
[M+HCOO]- | 381.01465 | 179.0 |
[M+CH3COO]- | 395.03030 | 197.3 |
[M+Na-2H]- | 356.99112 | 176.0 |
[M]+ | 336.01590 | 164.5 |
[M]- | 336.01700 | 164.5 |