CID 368567

Nsc639660

Structural Information

Molecular Formula
C16H12N2O5
SMILES
COC(=O)C1=C2C3=CC=CC=C3NC(=O)C2=CN=C1C(=O)OC
InChI
InChI=1S/C16H12N2O5/c1-22-15(20)12-11-8-5-3-4-6-10(8)18-14(19)9(11)7-17-13(12)16(21)23-2/h3-7H,1-2H3,(H,18,19)
InChIKey
GKTOKONRTOOZNN-UHFFFAOYSA-N
Compound name
dimethyl 5-oxo-6H-benzo[f][2,7]naphthyridine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.07462 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08190 167.2
[M+Na]+ 335.06384 178.0
[M-H]- 311.06734 169.7
[M+NH4]+ 330.10844 180.6
[M+K]+ 351.03778 174.1
[M+H-H2O]+ 295.07188 158.6
[M+HCOO]- 357.07282 185.5
[M+CH3COO]- 371.08847 203.9
[M+Na-2H]- 333.04929 173.6
[M]+ 312.07407 172.7
[M]- 312.07517 172.7
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.