CID 5380234

500300-26-5

Structural Information

Molecular Formula
C12H7N3O4
SMILES
C1=CC=C2C(=C1)C(=C3C(=N2)NC(=O)NC3=O)C(=O)O
InChI
InChI=1S/C12H7N3O4/c16-10-8-7(11(17)18)5-3-1-2-4-6(5)13-9(8)14-12(19)15-10/h1-4H,(H,17,18)(H2,13,14,15,16,19)
InChIKey
QBYSISHGTFQZKT-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-pyrimido[4,5-b]quinoline-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.04367 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05095 152.8
[M+Na]+ 280.03289 165.1
[M-H]- 256.03639 151.8
[M+NH4]+ 275.07749 165.8
[M+K]+ 296.00683 158.7
[M+H-H2O]+ 240.04093 145.0
[M+HCOO]- 302.04187 168.9
[M+CH3COO]- 316.05752 164.1
[M+Na-2H]- 278.01834 161.4
[M]+ 257.04312 153.4
[M]- 257.04422 153.4
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

patents stripe