CID 163157840

1-oxido-2-undecylquinolin-4-one

Structural Information

Molecular Formula
C20H28NO2
SMILES
CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1[O-]
InChI
InChI=1S/C20H28NO2/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21(17)23/h11-12,14-16H,2-10,13H2,1H3/q-1
InChIKey
PJPAACOSWVNACO-UHFFFAOYSA-N
Compound name
1-oxido-2-undecylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.212 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21928 177.5
[M+Na]+ 337.20122 183.7
[M-H]- 313.20472 178.1
[M+NH4]+ 332.24582 191.5
[M+K]+ 353.17516 178.8
[M+H-H2O]+ 297.20926 171.2
[M+HCOO]- 359.21020 196.8
[M+CH3COO]- 373.22585 208.2
[M+Na-2H]- 335.18667 179.9
[M]+ 314.21145 181.3
[M]- 314.21255 181.3
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.