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]+ 290.175076 167.8
[M+Na]+ 312.157018 176.9
[M-H]- 288.160524 171.1
[M+NH4]+ 307.201623 184.0
[M+K]+ 328.130958 173.3
[M+H-H2O]+ 272.165060 159.9
[M+HCOO]- 334.166001 189.0
[M+CH3COO]- 348.181651 205.4
[M+Na-2H]- 310.142466 172.1
[M]+ 289.16725142 175.0
[M]- 289.16834858 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

patents stripe