CID 6325654

2-[4-(3,4-methylenedioxyphenyl)butyl]-4(1h)-quinolinone

Structural Information

Molecular Formula
C20H19NO3
SMILES
C1OC2=C(O1)C=C(C=C2)CCCCC3=CC(=O)C4=CC=CC=C4N3
InChI
InChI=1S/C20H19NO3/c22-18-12-15(21-17-8-4-3-7-16(17)18)6-2-1-5-14-9-10-19-20(11-14)24-13-23-19/h3-4,7-12H,1-2,5-6,13H2,(H,21,22)
InChIKey
WVIITJBBQPBPEB-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-yl)butyl]-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1365 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 174.5
[M+Na]+ 344.12572 182.8
[M-H]- 320.12922 181.5
[M+NH4]+ 339.17032 187.7
[M+K]+ 360.09966 178.6
[M+H-H2O]+ 304.13376 166.2
[M+HCOO]- 366.13470 191.6
[M+CH3COO]- 380.15035 185.4
[M+Na-2H]- 342.11117 179.8
[M]+ 321.13595 177.0
[M]- 321.13705 177.0
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.