CID 13538535

Quinoline, 2-((3-(dimethylamino)propyl)methylamino)-4-phenyl-, monohydrochloride, monohydrate

Structural Information

Molecular Formula
C21H25N3
SMILES
CN(C)CCCN(C)C1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3/c1-23(2)14-9-15-24(3)21-16-19(17-10-5-4-6-11-17)18-12-7-8-13-20(18)22-21/h4-8,10-13,16H,9,14-15H2,1-3H3
InChIKey
MGWQJRQJLGIOSC-UHFFFAOYSA-N
Compound name
N,N,N'-trimethyl-N'-(4-phenylquinolin-2-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20483 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 179.3
[M+Na]+ 342.19405 184.5
[M-H]- 318.19755 187.3
[M+NH4]+ 337.23865 193.6
[M+K]+ 358.16799 180.6
[M+H-H2O]+ 302.20209 168.6
[M+HCOO]- 364.20303 202.6
[M+CH3COO]- 378.21868 221.9
[M+Na-2H]- 340.17950 184.7
[M]+ 319.20428 181.7
[M]- 319.20538 181.7
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.