CID 24208983

853328-22-0

Structural Information

Molecular Formula
C18H20N2S
SMILES
CCC(CC)NC1=CC(=NC2=CC=CC=C21)C3=CC=CS3
InChI
InChI=1S/C18H20N2S/c1-3-13(4-2)19-16-12-17(18-10-7-11-21-18)20-15-9-6-5-8-14(15)16/h5-13H,3-4H2,1-2H3,(H,19,20)
InChIKey
KJTVELBQRRMOCD-UHFFFAOYSA-N
Compound name
N-pentan-3-yl-2-thiophen-2-ylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1347 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14198 168.4
[M+Na]+ 319.12392 177.2
[M-H]- 295.12742 175.3
[M+NH4]+ 314.16852 185.9
[M+K]+ 335.09786 171.1
[M+H-H2O]+ 279.13196 160.7
[M+HCOO]- 341.13290 187.4
[M+CH3COO]- 355.14855 180.3
[M+Na-2H]- 317.10937 171.1
[M]+ 296.13415 172.5
[M]- 296.13525 172.5
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.