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]+ 316.14781 170.7
[M+Na]+ 338.12975 177.1
[M-H]- 314.13325 175.2
[M+NH4]+ 333.17435 186.3
[M+K]+ 354.10369 171.4
[M+H-H2O]+ 298.13779 162.8
[M+HCOO]- 360.13873 181.1
[M+CH3COO]- 374.15438 180.1
[M+Na-2H]- 336.11520 170.8
[M]+ 315.13998 167.0
[M]- 315.14108 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.