CID 363527

Nsc628459

Structural Information

Molecular Formula
C19H25NO3
SMILES
CCCCCCCCC1=C(C(=O)C2=C(C=CN=C2C1=O)C)OC
InChI
InChI=1S/C19H25NO3/c1-4-5-6-7-8-9-10-14-17(21)16-15(13(2)11-12-20-16)18(22)19(14)23-3/h11-12H,4-10H2,1-3H3
InChIKey
VYKBGAMSRZWHFW-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-7-octylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.0
[M+Na]+ 338.17266 184.4
[M-H]- 314.17616 178.9
[M+NH4]+ 333.21726 191.2
[M+K]+ 354.14660 180.0
[M+H-H2O]+ 298.18070 168.1
[M+HCOO]- 360.18164 195.2
[M+CH3COO]- 374.19729 212.2
[M+Na-2H]- 336.15811 177.7
[M]+ 315.18289 182.2
[M]- 315.18399 182.2
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.