CID 3009591

7-amino-6-nitro-4-oxo-1h-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H7N3O5
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])N)NC=C(C2=O)C(=O)O
InChI
InChI=1S/C10H7N3O5/c11-6-2-7-4(1-8(6)13(17)18)9(14)5(3-12-7)10(15)16/h1-3H,11H2,(H,12,14)(H,15,16)
InChIKey
BGNXNZBYTULONX-UHFFFAOYSA-N
Compound name
7-amino-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.03857 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04585 145.6
[M+Na]+ 272.02779 154.0
[M-H]- 248.03129 146.8
[M+NH4]+ 267.07239 159.8
[M+K]+ 288.00173 146.3
[M+H-H2O]+ 232.03583 143.6
[M+HCOO]- 294.03677 166.7
[M+CH3COO]- 308.05242 185.0
[M+Na-2H]- 270.01324 153.0
[M]+ 249.03802 142.3
[M]- 249.03912 142.3
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.