CID 363523

Nsc628455

Structural Information

Molecular Formula
C18H23NO3
SMILES
CCCCCCCCC1=C(C(=O)C2=C(C1=O)N=CC=C2)OC
InChI
InChI=1S/C18H23NO3/c1-3-4-5-6-7-8-10-14-16(20)15-13(11-9-12-19-15)17(21)18(14)22-2/h9,11-12H,3-8,10H2,1-2H3
InChIKey
NCVKPIDCOQMKAK-UHFFFAOYSA-N
Compound name
6-methoxy-7-octylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.8
[M+Na]+ 324.15702 179.7
[M-H]- 300.16052 174.5
[M+NH4]+ 319.20162 187.2
[M+K]+ 340.13096 175.4
[M+H-H2O]+ 284.16506 163.8
[M+HCOO]- 346.16600 191.3
[M+CH3COO]- 360.18165 207.9
[M+Na-2H]- 322.14247 174.7
[M]+ 301.16725 177.1
[M]- 301.16835 177.1
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.