CID 363528

Nsc628460

Structural Information

Molecular Formula
C19H24ClNO3
SMILES
CCCCCCCCC1=C(C(=O)C2=C(C1=O)N=C(C=C2C)Cl)OC
InChI
InChI=1S/C19H24ClNO3/c1-4-5-6-7-8-9-10-13-17(22)16-15(18(23)19(13)24-3)12(2)11-14(20)21-16/h11H,4-10H2,1-3H3
InChIKey
KAMFZJLDEXNXPA-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-4-methyl-7-octylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.14447 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15175 181.8
[M+Na]+ 372.13369 191.8
[M-H]- 348.13719 184.9
[M+NH4]+ 367.17829 196.7
[M+K]+ 388.10763 185.8
[M+H-H2O]+ 332.14173 174.8
[M+HCOO]- 394.14267 196.4
[M+CH3COO]- 408.15832 217.0
[M+Na-2H]- 370.11914 182.3
[M]+ 349.14392 190.4
[M]- 349.14502 190.4
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.