CID 453050

4-(4-methylpiperazino)-2-phenylquinoline

Structural Information

Molecular Formula
C20H21N3
SMILES
CN1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3/c1-22-11-13-23(14-12-22)20-15-19(16-7-3-2-4-8-16)21-18-10-6-5-9-17(18)20/h2-10,15H,11-14H2,1H3
InChIKey
JZDZWTQFXWJFLK-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-2-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

303.17355 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18083 175.6
[M+Na]+ 326.16277 181.9
[M-H]- 302.16627 180.8
[M+NH4]+ 321.20737 186.5
[M+K]+ 342.13671 174.7
[M+H-H2O]+ 286.17081 163.1
[M+HCOO]- 348.17175 190.2
[M+CH3COO]- 362.18740 184.5
[M+Na-2H]- 324.14822 180.4
[M]+ 303.17300 170.7
[M]- 303.17410 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe