CID 3024968

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

Structural Information

Molecular Formula
C20H23N3
SMILES
CN(C)CCCNC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3/c1-23(2)14-8-13-21-20-15-18(16-9-4-3-5-10-16)17-11-6-7-12-19(17)22-20/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,21,22)
InChIKey
XNZBDALLHYNRKM-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(4-phenylquinolin-2-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 173.9
[M+Na]+ 328.17842 179.5
[M-H]- 304.18192 180.7
[M+NH4]+ 323.22302 188.2
[M+K]+ 344.15236 174.4
[M+H-H2O]+ 288.18646 163.7
[M+HCOO]- 350.18740 197.1
[M+CH3COO]- 364.20305 184.5
[M+Na-2H]- 326.16387 180.7
[M]+ 305.18865 174.8
[M]- 305.18975 174.8
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.