CID 490058

1-amino-7-iodo-thieno[3,4-b]quinolin-9-ol

Structural Information

Molecular Formula
C11H7IN2OS
SMILES
C1=CC2=C(C=C1I)C(=O)C3=C(SC=C3N2)N
InChI
InChI=1S/C11H7IN2OS/c12-5-1-2-7-6(3-5)10(15)9-8(14-7)4-16-11(9)13/h1-4,14H,13H2
InChIKey
ILXKEUCHWHCGNC-UHFFFAOYSA-N
Compound name
1-amino-7-iodo-4H-thieno[3,4-b]quinolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.93237 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.93965 151.0
[M+Na]+ 364.92159 156.8
[M-H]- 340.92509 147.9
[M+NH4]+ 359.96619 166.7
[M+K]+ 380.89553 156.5
[M+H-H2O]+ 324.92963 142.2
[M+HCOO]- 386.93057 164.7
[M+CH3COO]- 400.94622 160.4
[M+Na-2H]- 362.90704 144.7
[M]+ 341.93182 150.8
[M]- 341.93292 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.