CID 363468

Nsc628379

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1CCN(CC1)C2=CC(=O)C(=O)C3=C(C=CN=C23)C
InChI
InChI=1S/C16H18N2O2/c1-10-4-7-18(8-5-10)12-9-13(19)16(20)14-11(2)3-6-17-15(12)14/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKey
YSINGROJDRPPKL-UHFFFAOYSA-N
Compound name
4-methyl-8-(4-methylpiperidin-1-yl)quinoline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.7
[M+Na]+ 293.12606 171.8
[M-H]- 269.12956 168.3
[M+NH4]+ 288.17066 178.5
[M+K]+ 309.10000 167.1
[M+H-H2O]+ 253.13410 154.5
[M+HCOO]- 315.13504 179.4
[M+CH3COO]- 329.15069 200.9
[M+Na-2H]- 291.11151 166.1
[M]+ 270.13629 160.8
[M]- 270.13739 160.8
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.