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]+ 304.14781 168.5
[M+Na]+ 326.12975 178.9
[M+NH4]+ 321.17435 177.4
[M+K]+ 342.10369 172.2
[M-H]- 302.13325 172.0
[M+Na-2H]- 324.11520 172.4
[M]+ 303.13998 171.3
[M]- 303.14108 171.3
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.