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]+ 309.15975 184.0
[M+Na]+ 331.14169 193.0
[M-H]- 307.14519 184.6
[M+NH4]+ 326.18629 193.0
[M+K]+ 347.11563 185.5
[M+H-H2O]+ 291.14973 168.9
[M+HCOO]- 353.15067 188.6
[M+CH3COO]- 367.16632 225.9
[M+Na-2H]- 329.12714 182.4
[M]+ 308.15192 174.3
[M]- 308.15302 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.