CID 135406078

53162-08-6

Structural Information

Molecular Formula
C8H6N2O4
SMILES
C1=C2C=C(NC(=O)C2=C(NC1=O)O)O
InChI
InChI=1S/C8H6N2O4/c11-4-1-3-2-5(12)10-8(14)6(3)7(13)9-4/h1-2H,(H2,9,11,13)(H2,10,12,14)
InChIKey
PEHAPVAHJLCRSR-UHFFFAOYSA-N
Compound name
3,8-dihydroxy-2,7-dihydro-2,7-naphthyridine-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

54
Patents

194.03276 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04004 136.4
[M+Na]+ 217.02198 148.0
[M-H]- 193.02548 134.4
[M+NH4]+ 212.06658 152.1
[M+K]+ 232.99592 142.7
[M+H-H2O]+ 177.03002 130.5
[M+HCOO]- 239.03096 153.6
[M+CH3COO]- 253.04661 173.3
[M+Na-2H]- 215.00743 143.6
[M]+ 194.03221 134.4
[M]- 194.03331 134.4
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

patents stripe