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]+ 316.190716 176.0
[M+Na]+ 338.172658 184.4
[M-H]- 314.176164 178.9
[M+NH4]+ 333.217263 191.2
[M+K]+ 354.146598 180.0
[M+H-H2O]+ 298.180700 168.1
[M+HCOO]- 360.181641 195.2
[M+CH3COO]- 374.197291 212.2
[M+Na-2H]- 336.158106 177.7
[M]+ 315.18289142 182.2
[M]- 315.18398858 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.