CID 45051266

2-(4-ethylphenyl)-n-(1-ethylpropyl)-4-quinolinamine

Structural Information

Molecular Formula
C22H26N2
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NC(CC)CC
InChI
InChI=1S/C22H26N2/c1-4-16-11-13-17(14-12-16)21-15-22(23-18(5-2)6-3)19-9-7-8-10-20(19)24-21/h7-15,18H,4-6H2,1-3H3,(H,23,24)
InChIKey
GBBVCWYYZZOTTB-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-N-pentan-3-ylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 180.3
[M+Na]+ 341.19882 186.4
[M-H]- 317.20232 185.8
[M+NH4]+ 336.24342 194.0
[M+K]+ 357.17276 180.0
[M+H-H2O]+ 301.20686 170.5
[M+HCOO]- 363.20780 200.3
[M+CH3COO]- 377.22345 215.3
[M+Na-2H]- 339.18427 184.2
[M]+ 318.20905 181.0
[M]- 318.21015 181.0
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.