CID 785952

3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Structural Information

Molecular Formula
C12H13N3OS
SMILES
C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)N)N
InChI
InChI=1S/C12H13N3OS/c13-9-7-5-6-3-1-2-4-8(6)15-12(7)17-10(9)11(14)16/h5H,1-4,13H2,(H2,14,16)
InChIKey
BITZABPDSCHXKS-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

247.07793 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08521 150.1
[M+Na]+ 270.06715 159.4
[M-H]- 246.07065 153.8
[M+NH4]+ 265.11175 169.9
[M+K]+ 286.04109 154.5
[M+H-H2O]+ 230.07519 144.2
[M+HCOO]- 292.07613 166.5
[M+CH3COO]- 306.09178 162.3
[M+Na-2H]- 268.05260 153.1
[M]+ 247.07738 149.3
[M]- 247.07848 149.3
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

No patent data available for this compound.