CID 56773895

Methyl 3-amino-6-chlorothieno[2,3-b]1,8-naphthyridine-2-carboxylate

Structural Information

Molecular Formula
C12H8ClN3O2S
SMILES
COC(=O)C1=C(C2=CC3=CC(=CN=C3N=C2S1)Cl)N
InChI
InChI=1S/C12H8ClN3O2S/c1-18-12(17)9-8(14)7-3-5-2-6(13)4-15-10(5)16-11(7)19-9/h2-4H,14H2,1H3
InChIKey
PFFZGLXRMCBFRX-UHFFFAOYSA-N
Compound name
methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.00256 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.009836 160.1
[M+Na]+ 315.991778 173.7
[M-H]- 291.995284 164.2
[M+NH4]+ 311.036383 178.7
[M+K]+ 331.965718 167.9
[M+H-H2O]+ 275.999820 154.6
[M+HCOO]- 338.000761 173.3
[M+CH3COO]- 352.016411 173.1
[M+Na-2H]- 313.977226 164.0
[M]+ 293.00201142 167.9
[M]- 293.00310858 167.9
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.