CID 3024974

Quinoline, 2-((n,n-diethylamino)methyl)-4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C20H22N2
SMILES
CCN(CC)CC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2/c1-3-22(4-2)15-17-14-19(16-10-6-5-7-11-16)18-12-8-9-13-20(18)21-17/h5-14H,3-4,15H2,1-2H3
InChIKey
SSUORSVCIOVXBS-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(4-phenylquinolin-2-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.17828 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 170.9
[M+Na]+ 313.16750 177.3
[M-H]- 289.17100 177.8
[M+NH4]+ 308.21210 186.2
[M+K]+ 329.14144 172.3
[M+H-H2O]+ 273.17554 160.9
[M+HCOO]- 335.17648 193.1
[M+CH3COO]- 349.19213 182.0
[M+Na-2H]- 311.15295 177.1
[M]+ 290.17773 172.4
[M]- 290.17883 172.4
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.