CID 492584

5-[6,6-dimethylhepta-2,4-diynyl(methyl)amino]-1,4-dihydroquinoline-2,3-dione

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CC(C)(C)C#CC#CCN(C)C1=CC=CC2=C1CC(=O)C(=O)N2
InChI
InChI=1S/C19H20N2O2/c1-19(2,3)11-6-5-7-12-21(4)16-10-8-9-15-14(16)13-17(22)18(23)20-15/h8-10H,12-13H2,1-4H3,(H,20,23)
InChIKey
NBJWASDTNRDMMW-UHFFFAOYSA-N
Compound name
5-[6,6-dimethylhepta-2,4-diynyl(methyl)amino]-1,4-dihydroquinoline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 184.0
[M+Na]+ 331.141688 193.0
[M-H]- 307.145194 184.6
[M+NH4]+ 326.186293 193.0
[M+K]+ 347.115628 185.5
[M+H-H2O]+ 291.149730 168.9
[M+HCOO]- 353.150671 188.6
[M+CH3COO]- 367.166321 225.9
[M+Na-2H]- 329.127136 182.4
[M]+ 308.15192142 174.3
[M]- 308.15301858 174.3
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.