CID 3024970

Quinoline, 2-(3-(dimethylamino)propoxy)-4-phenyl-, hydrochloride, hydrate

Structural Information

Molecular Formula
C20H22N2O
SMILES
CN(C)CCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c1-22(2)13-8-14-23-20-15-18(16-9-4-3-5-10-16)17-11-6-7-12-19(17)21-20/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKey
BWVMDVZNIYEOIO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 174.3
[M+Na]+ 329.16244 180.6
[M-H]- 305.16594 181.2
[M+NH4]+ 324.20704 188.9
[M+K]+ 345.13638 176.2
[M+H-H2O]+ 289.17048 164.1
[M+HCOO]- 351.17142 196.7
[M+CH3COO]- 365.18707 212.7
[M+Na-2H]- 327.14789 180.5
[M]+ 306.17267 177.2
[M]- 306.17377 177.2
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.