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]+ 306.196476 173.9
[M+Na]+ 328.178418 179.5
[M-H]- 304.181924 180.7
[M+NH4]+ 323.223023 188.2
[M+K]+ 344.152358 174.4
[M+H-H2O]+ 288.186460 163.7
[M+HCOO]- 350.187401 197.1
[M+CH3COO]- 364.203051 184.5
[M+Na-2H]- 326.163866 180.7
[M]+ 305.18865142 174.8
[M]- 305.18974858 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.