CID 56773859

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

Structural Information

Molecular Formula
C11H8ClIN2O2
SMILES
CCOC(=O)C1=CC2=CC(=CN=C2N=C1Cl)I
InChI
InChI=1S/C11H8ClIN2O2/c1-2-17-11(16)8-4-6-3-7(13)5-14-10(6)15-9(8)12/h3-5H,2H2,1H3
InChIKey
IQXOYMQNYAFMDN-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-6-iodo-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.9319 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.93918 152.5
[M+Na]+ 384.92112 156.4
[M-H]- 360.92462 147.6
[M+NH4]+ 379.96572 164.4
[M+K]+ 400.89506 158.0
[M+H-H2O]+ 344.92916 142.0
[M+HCOO]- 406.93010 163.8
[M+CH3COO]- 420.94575 201.3
[M+Na-2H]- 382.90657 147.6
[M]+ 361.93135 154.8
[M]- 361.93245 154.8
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.