CID 56773895

1353877-96-9

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]+ 294.00984 160.6
[M+Na]+ 315.99178 175.4
[M+NH4]+ 311.03638 169.4
[M+K]+ 331.96572 168.2
[M-H]- 291.99528 163.0
[M+Na-2H]- 313.97723 165.9
[M]+ 293.00201 164.2
[M]- 293.00311 164.2
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.