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

compound 2d structure
1
Annotation Hits

3
References

0
Patents

277.0699 Da
Monoisotopic Mass

1.2
XlogP (predicted)

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
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

No patent data available for this compound.