CID 461420
Pd 108685
Structural Information
- Molecular Formula
- C12H11N3O5
- SMILES
- CCN1C=C(C(=O)C2=CC(=C(N=C21)C)[N+](=O)[O-])C(=O)O
- InChI
- InChI=1S/C12H11N3O5/c1-3-14-5-8(12(17)18)10(16)7-4-9(15(19)20)6(2)13-11(7)14/h4-5H,3H2,1-2H3,(H,17,18)
- InChIKey
- GRHQCKINCPHEAH-UHFFFAOYSA-N
- Compound name
- 1-ethyl-7-methyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 278.07718 | 156.2 |
[M+Na]+ | 300.05912 | 166.0 |
[M-H]- | 276.06262 | 158.1 |
[M+NH4]+ | 295.10372 | 169.6 |
[M+K]+ | 316.03306 | 158.8 |
[M+H-H2O]+ | 260.06716 | 153.4 |
[M+HCOO]- | 322.06810 | 176.4 |
[M+CH3COO]- | 336.08375 | 193.2 |
[M+Na-2H]- | 298.04457 | 163.1 |
[M]+ | 277.06935 | 157.9 |
[M]- | 277.07045 | 157.9 |
Literature stripe
Patent stripe
No patent data available for this compound.