CID 5781544

Nsc642968

Structural Information

Molecular Formula
C20H18N2O2
SMILES
C1CCN(CC1)/C=C/C2=C3C(=NC=C2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H18N2O2/c23-19-15-6-2-3-7-16(15)20(24)18-17(19)14(8-10-21-18)9-13-22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12H2/b13-9+
InChIKey
ZZOIBZBKTUIRIW-UKTHLTGXSA-N
Compound name
4-[(E)-2-piperidin-1-ylethenyl]benzo[g]quinoline-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

318.13684 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14412 176.1
[M+Na]+ 341.12606 182.9
[M-H]- 317.12956 180.6
[M+NH4]+ 336.17066 189.1
[M+K]+ 357.10000 175.9
[M+H-H2O]+ 301.13410 165.2
[M+HCOO]- 363.13504 190.1
[M+CH3COO]- 377.15069 185.2
[M+Na-2H]- 339.11151 179.9
[M]+ 318.13629 171.7
[M]- 318.13739 171.7
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.