CID 3069167

Brn 4482723

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC(CC1=CC=CC=C1)NCCCOC2=CC3=C(C=CC=N3)C=C2
InChI
InChI=1S/C21H24N2O/c1-17(15-18-7-3-2-4-8-18)22-13-6-14-24-20-11-10-19-9-5-12-23-21(19)16-20/h2-5,7-12,16-17,22H,6,13-15H2,1H3
InChIKey
SKCSFYSQPHXRFS-UHFFFAOYSA-N
Compound name
1-phenyl-N-(3-quinolin-7-yloxypropyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 178.0
[M+Na]+ 343.17809 182.5
[M-H]- 319.18159 182.9
[M+NH4]+ 338.22269 190.9
[M+K]+ 359.15203 176.9
[M+H-H2O]+ 303.18613 167.8
[M+HCOO]- 365.18707 198.5
[M+CH3COO]- 379.20272 212.0
[M+Na-2H]- 341.16354 184.1
[M]+ 320.18832 178.9
[M]- 320.18942 178.9
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.