CID 155515313

Chembl4441812

Structural Information

Molecular Formula
C29H37ClN2O2
SMILES
CCCCCCCCCCCCCCC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl
InChI
InChI=1S/C29H37ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-17-19-23(20-18-22)32-27-25(30)29(34)26-24(28(27)33)16-14-21-31-26/h14,16-21,32H,2-13,15H2,1H3
InChIKey
ADSXLOYVFJLBKI-UHFFFAOYSA-N
Compound name
7-chloro-6-(4-tetradecylanilino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.25436 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.26164 223.9
[M+Na]+ 503.24358 228.9
[M-H]- 479.24708 228.0
[M+NH4]+ 498.28818 232.0
[M+K]+ 519.21752 219.5
[M+H-H2O]+ 463.25162 213.0
[M+HCOO]- 525.25256 237.0
[M+CH3COO]- 539.26821 243.8
[M+Na-2H]- 501.22903 222.3
[M]+ 480.25381 230.6
[M]- 480.25491 230.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.