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]+ 294.16008 169.2
[M+Na]+ 316.14202 177.6
[M-H]- 292.14552 176.3
[M+NH4]+ 311.18662 181.5
[M+K]+ 332.11596 172.6
[M+H-H2O]+ 276.15006 158.3
[M+HCOO]- 338.15100 186.3
[M+CH3COO]- 352.16665 180.0
[M+Na-2H]- 314.12747 173.3
[M]+ 293.15225 168.2
[M]- 293.15335 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.