CID 459682

6-ethoxy-n-(3-phenoxypropyl)quinolin-8-amine

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCOC1=CC(=C2C(=C1)C=CC=N2)NCCCOC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O2/c1-2-23-18-14-16-8-6-11-22-20(16)19(15-18)21-12-7-13-24-17-9-4-3-5-10-17/h3-6,8-11,14-15,21H,2,7,12-13H2,1H3
InChIKey
BENKIWLBCXITGZ-UHFFFAOYSA-N
Compound name
6-ethoxy-N-(3-phenoxypropyl)quinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 176.6
[M+Na]+ 345.15734 182.6
[M-H]- 321.16084 182.0
[M+NH4]+ 340.20194 189.8
[M+K]+ 361.13128 177.5
[M+H-H2O]+ 305.16538 166.4
[M+HCOO]- 367.16632 198.7
[M+CH3COO]- 381.18197 211.5
[M+Na-2H]- 343.14279 183.7
[M]+ 322.16757 179.6
[M]- 322.16867 179.6
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.