CID 600305

1-hydroxy-2-dodecyl-4(1h)quinolone

Structural Information

Molecular Formula
C21H31NO2
SMILES
CCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
InChI
InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,24H,2-11,14H2,1H3
InChIKey
SBALADRDZPFHLM-UHFFFAOYSA-N
Compound name
2-dodecyl-1-hydroxyquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

3
Patents

329.23547 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.24275 183.7
[M+Na]+ 352.22469 189.7
[M-H]- 328.22819 184.3
[M+NH4]+ 347.26929 197.2
[M+K]+ 368.19863 183.6
[M+H-H2O]+ 312.23273 175.1
[M+HCOO]- 374.23367 201.7
[M+CH3COO]- 388.24932 211.6
[M+Na-2H]- 350.21014 185.9
[M]+ 329.23492 188.4
[M]- 329.23602 188.4
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.