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 170.7
[M+Na]+ 322.15262 175.5
[M-H]- 298.15612 174.1
[M+NH4]+ 317.19722 183.3
[M+K]+ 338.12656 170.4
[M+H-H2O]+ 282.16066 160.5
[M+HCOO]- 344.16160 187.1
[M+CH3COO]- 358.17725 206.4
[M+Na-2H]- 320.13807 174.7
[M]+ 299.16285 166.6
[M]- 299.16395 166.6
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