CID 383234

Nsc671349

Structural Information

Molecular Formula
C13H7N3O4
SMILES
C1=CC(=C2C=C3C=NC=CC3=NC2=C1C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H7N3O4/c17-13(18)8-1-2-11(16(19)20)9-5-7-6-14-4-3-10(7)15-12(8)9/h1-6H,(H,17,18)
InChIKey
XJQUAJBNMDPNCH-UHFFFAOYSA-N
Compound name
9-nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04367 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05095 152.6
[M+Na]+ 292.03289 161.9
[M-H]- 268.03639 155.1
[M+NH4]+ 287.07749 166.6
[M+K]+ 308.00683 153.7
[M+H-H2O]+ 252.04093 148.8
[M+HCOO]- 314.04187 173.1
[M+CH3COO]- 328.05752 190.2
[M+Na-2H]- 290.01834 164.3
[M]+ 269.04312 153.2
[M]- 269.04422 153.2
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.