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]+ 291.18556 170.7
[M+Na]+ 313.16750 176.7
[M-H]- 289.17100 176.3
[M+NH4]+ 308.21210 185.3
[M+K]+ 329.14144 170.8
[M+H-H2O]+ 273.17554 161.2
[M+HCOO]- 335.17648 191.4
[M+CH3COO]- 349.19213 181.2
[M+Na-2H]- 311.15295 176.5
[M]+ 290.17773 170.4
[M]- 290.17883 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.