CID 45051425

N-cyclopentyl-2-(4-methoxyphenyl)-4-quinolinamine

Structural Information

Molecular Formula
C21H22N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NC4CCCC4
InChI
InChI=1S/C21H22N2O/c1-24-17-12-10-15(11-13-17)20-14-21(22-16-6-2-3-7-16)18-8-4-5-9-19(18)23-20/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,22,23)
InChIKey
IFHVTDUBCHPYTA-UHFFFAOYSA-N
Compound name
N-cyclopentyl-2-(4-methoxyphenyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 178.0
[M+Na]+ 341.16244 192.8
[M+NH4]+ 336.20704 187.7
[M+K]+ 357.13638 184.8
[M-H]- 317.16594 185.7
[M+Na-2H]- 339.14789 187.8
[M]+ 318.17267 182.4
[M]- 318.17377 182.4
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.