CID 12424016

Schembl3300367

Structural Information

Molecular Formula
C14H13ClN2O2
SMILES
C1CCN(CC1)C2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl
InChI
InChI=1S/C14H13ClN2O2/c15-10-12(17-7-2-1-3-8-17)14(19)11-9(13(10)18)5-4-6-16-11/h4-6H,1-3,7-8H2
InChIKey
RAIPNFWGYIHRPN-UHFFFAOYSA-N
Compound name
6-chloro-7-piperidin-1-ylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

276.06656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07384 160.8
[M+Na]+ 299.05578 169.5
[M-H]- 275.05928 165.0
[M+NH4]+ 294.10038 175.9
[M+K]+ 315.02972 163.7
[M+H-H2O]+ 259.06382 152.1
[M+HCOO]- 321.06476 172.5
[M+CH3COO]- 335.08041 171.7
[M+Na-2H]- 297.04123 164.5
[M]+ 276.06601 158.9
[M]- 276.06711 158.9
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