CID 697512

2-(1-piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

Structural Information

Molecular Formula
C17H21N3OS
SMILES
C1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N
InChI
InChI=1S/C17H21N3OS/c18-14-12-10-11-6-2-3-7-13(11)19-16(12)22-15(14)17(21)20-8-4-1-5-9-20/h10H,1-9,18H2
InChIKey
YSWHOMJJWHENSF-UHFFFAOYSA-N
Compound name
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

315.14053 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.147806 170.7
[M+Na]+ 338.129748 177.1
[M-H]- 314.133254 175.2
[M+NH4]+ 333.174353 186.3
[M+K]+ 354.103688 171.4
[M+H-H2O]+ 298.137790 162.8
[M+HCOO]- 360.138731 181.1
[M+CH3COO]- 374.154381 180.1
[M+Na-2H]- 336.115196 170.8
[M]+ 315.13998142 167.0
[M]- 315.14107858 167.0
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.