CID 719682

Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate

Structural Information

Molecular Formula
C12H10INO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)I
InChI
InChI=1S/C12H10INO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChIKey
NPZATCMFCFASBE-UHFFFAOYSA-N
Compound name
ethyl 6-iodo-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

342.97055 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.97783 155.2
[M+Na]+ 365.95977 157.7
[M-H]- 341.96327 150.5
[M+NH4]+ 361.00437 167.5
[M+K]+ 381.93371 159.9
[M+H-H2O]+ 325.96781 144.9
[M+HCOO]- 387.96875 170.5
[M+CH3COO]- 401.98440 197.0
[M+Na-2H]- 363.94522 149.1
[M]+ 342.97000 154.3
[M]- 342.97110 154.3
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