CID 453075

N-[2-(dimethylamino)ethyl]-n-ethyl-2-(2-thienyl)-quinolin-4-amine

Structural Information

Molecular Formula
C19H23N3S
SMILES
CCN(CCN(C)C)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3
InChI
InChI=1S/C19H23N3S/c1-4-22(12-11-21(2)3)18-14-17(19-10-7-13-23-19)20-16-9-6-5-8-15(16)18/h5-10,13-14H,4,11-12H2,1-3H3
InChIKey
LMODAQKWDYRGOD-UHFFFAOYSA-N
Compound name
N'-ethyl-N,N-dimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.16125 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16853 177.5
[M+Na]+ 348.15047 185.3
[M-H]- 324.15397 186.8
[M+NH4]+ 343.19507 194.7
[M+K]+ 364.12441 181.2
[M+H-H2O]+ 308.15851 168.6
[M+HCOO]- 370.15945 198.9
[M+CH3COO]- 384.17510 189.4
[M+Na-2H]- 346.13592 180.0
[M]+ 325.16070 184.2
[M]- 325.16180 184.2
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.