CID 453073

2-(2-furyl)-4-(4-methylpiperazin-1-yl)quinoline

Structural Information

Molecular Formula
C18H19N3O
SMILES
CN1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4
InChI
InChI=1S/C18H19N3O/c1-20-8-10-21(11-9-20)17-13-16(18-7-4-12-22-18)19-15-6-3-2-5-14(15)17/h2-7,12-13H,8-11H2,1H3
InChIKey
JMPDPVSMBXKJJD-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.1528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 169.2
[M+Na]+ 316.142018 177.6
[M-H]- 292.145524 176.3
[M+NH4]+ 311.186623 181.5
[M+K]+ 332.115958 172.6
[M+H-H2O]+ 276.150060 158.3
[M+HCOO]- 338.151001 186.3
[M+CH3COO]- 352.166651 180.0
[M+Na-2H]- 314.127466 173.3
[M]+ 293.15225142 168.2
[M]- 293.15334858 168.2
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

No patent data available for this compound.