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]+ 297.141976 168.4
[M+Na]+ 319.123918 177.2
[M-H]- 295.127424 175.3
[M+NH4]+ 314.168523 185.9
[M+K]+ 335.097858 171.1
[M+H-H2O]+ 279.131960 160.7
[M+HCOO]- 341.132901 187.4
[M+CH3COO]- 355.148551 180.3
[M+Na-2H]- 317.109366 171.1
[M]+ 296.13415142 172.5
[M]- 296.13524858 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.