CID 99150

35976-67-1

Structural Information

Molecular Formula
C17H21N3O2
SMILES
C1CCN(CC1)CCCNC2=CC(=O)C3=C(C2=O)C=CC=N3
InChI
InChI=1S/C17H21N3O2/c21-15-12-14(17(22)13-6-4-7-19-16(13)15)18-8-5-11-20-9-2-1-3-10-20/h4,6-7,12,18H,1-3,5,8-11H2
InChIKey
REFALBMIVDQKHY-UHFFFAOYSA-N
Compound name
6-(3-piperidin-1-ylpropylamino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.1634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 171.9
[M+Na]+ 322.15262 184.0
[M+NH4]+ 317.19722 179.2
[M+K]+ 338.12656 176.2
[M-H]- 298.15612 175.5
[M+Na-2H]- 320.13807 177.6
[M]+ 299.16285 174.4
[M]- 299.16395 174.4
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

patents stripe