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]+ 291.185556 170.9
[M+Na]+ 313.167498 177.3
[M-H]- 289.171004 177.8
[M+NH4]+ 308.212103 186.2
[M+K]+ 329.141438 172.3
[M+H-H2O]+ 273.175540 160.9
[M+HCOO]- 335.176481 193.1
[M+CH3COO]- 349.192131 182.0
[M+Na-2H]- 311.152946 177.1
[M]+ 290.17773142 172.4
[M]- 290.17882858 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.