CID 56773860

Ethyl 2-hydroxy-6-iodo-1,8-naphthyridine-3-carboxylate

Structural Information

Molecular Formula
C11H9IN2O3
SMILES
CCOC(=O)C1=CC2=CC(=CN=C2NC1=O)I
InChI
InChI=1S/C11H9IN2O3/c1-2-17-11(16)8-4-6-3-7(12)5-13-9(6)14-10(8)15/h3-5H,2H2,1H3,(H,13,14,15)
InChIKey
IHTBZUFLFJYKJF-UHFFFAOYSA-N
Compound name
ethyl 6-iodo-2-oxo-1H-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9658 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.97308 153.9
[M+Na]+ 366.95502 156.8
[M-H]- 342.95852 147.9
[M+NH4]+ 361.99962 164.8
[M+K]+ 382.92896 159.0
[M+H-H2O]+ 326.96306 142.9
[M+HCOO]- 388.96400 168.3
[M+CH3COO]- 402.97965 196.8
[M+Na-2H]- 364.94047 148.5
[M]+ 343.96525 153.1
[M]- 343.96635 153.1
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.