CID 45050913

853310-71-1

Structural Information

Molecular Formula
C20H22N2
SMILES
CCC(CC)NC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2/c1-3-16(4-2)21-20-14-19(15-10-6-5-7-11-15)22-18-13-9-8-12-17(18)20/h5-14,16H,3-4H2,1-2H3,(H,21,22)
InChIKey
PQYKDAPHUXZIPA-UHFFFAOYSA-N
Compound name
N-pentan-3-yl-2-phenylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.185556 170.7
[M+Na]+ 313.167498 176.7
[M-H]- 289.171004 176.3
[M+NH4]+ 308.212103 185.3
[M+K]+ 329.141438 170.8
[M+H-H2O]+ 273.175540 161.2
[M+HCOO]- 335.176481 191.4
[M+CH3COO]- 349.192131 181.2
[M+Na-2H]- 311.152946 176.5
[M]+ 290.17773142 170.4
[M]- 290.17882858 170.4
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.