CID 5276280

Schembl9739020

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCCCCCN1C(=CC(=O)C2=C1C(=CC=C2)OC)OC
InChI
InChI=1S/C17H23NO3/c1-4-5-6-7-11-18-16(21-3)12-14(19)13-9-8-10-15(20-2)17(13)18/h8-10,12H,4-7,11H2,1-3H3
InChIKey
OPUWYYCTTWUEGQ-UHFFFAOYSA-N
Compound name
1-hexyl-2,8-dimethoxyquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.1678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 167.8
[M+Na]+ 312.15702 176.9
[M-H]- 288.16052 171.1
[M+NH4]+ 307.20162 184.0
[M+K]+ 328.13096 173.3
[M+H-H2O]+ 272.16506 159.9
[M+HCOO]- 334.16600 189.0
[M+CH3COO]- 348.18165 205.4
[M+Na-2H]- 310.14247 172.1
[M]+ 289.16725 175.0
[M]- 289.16835 175.0
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.