CID 5276279

Schembl9738634

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCCCCCN1C(=CC(=O)C2=CC=CC(=C21)C)OC
InChI
InChI=1S/C17H23NO2/c1-4-5-6-7-11-18-16(20-3)12-15(19)14-10-8-9-13(2)17(14)18/h8-10,12H,4-7,11H2,1-3H3
InChIKey
FMCFFSRERCURPE-UHFFFAOYSA-N
Compound name
1-hexyl-2-methoxy-8-methylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.17288 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 164.7
[M+Na]+ 296.16210 173.9
[M-H]- 272.16560 168.0
[M+NH4]+ 291.20670 181.6
[M+K]+ 312.13604 169.7
[M+H-H2O]+ 256.17014 157.0
[M+HCOO]- 318.17108 185.6
[M+CH3COO]- 332.18673 203.4
[M+Na-2H]- 294.14755 168.9
[M]+ 273.17233 170.4
[M]- 273.17343 170.4
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

patents stripe