CID 130804

1-hydroxy-2-nonylquinolin-4-one

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
InChI
InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)21/h9-10,12-14,21H,2-8,11H2,1H3
InChIKey
JYFNTDPGDPZMCM-UHFFFAOYSA-N
Compound name
1-hydroxy-2-nonylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

52
Patents

287.18854 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 170.0
[M+Na]+ 310.177758 177.4
[M-H]- 286.181264 171.2
[M+NH4]+ 305.222363 185.2
[M+K]+ 326.151698 172.0
[M+H-H2O]+ 270.185800 162.1
[M+HCOO]- 332.186741 189.1
[M+CH3COO]- 346.202391 202.6
[M+Na-2H]- 308.163206 173.9
[M]+ 287.18799142 173.7
[M]- 287.18908858 173.7
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

patents stripe