CID 780948

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

Structural Information

Molecular Formula
C16H21N3OS
SMILES
CCN(CC)C(=O)C1=C(C2=C(S1)N=C3CCCCC3=C2)N
InChI
InChI=1S/C16H21N3OS/c1-3-19(4-2)16(20)14-13(17)11-9-10-7-5-6-8-12(10)18-15(11)21-14/h9H,3-8,17H2,1-2H3
InChIKey
RNPUCQGUDAJVNK-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14053 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.147806 169.1
[M+Na]+ 326.129748 176.5
[M-H]- 302.133254 173.9
[M+NH4]+ 321.174353 187.5
[M+K]+ 342.103688 172.6
[M+H-H2O]+ 286.137790 162.2
[M+HCOO]- 348.138731 185.1
[M+CH3COO]- 362.154381 180.2
[M+Na-2H]- 324.115196 170.2
[M]+ 303.13998142 171.6
[M]- 303.14107858 171.6
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.