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

2
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

literature stripe

Patent stripe

patents stripe