CID 492579

Chembl36409

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC(C)(C)C#CC#CCN(C)C1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C19H22N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22)
InChIKey
KZESNQOPNPWCSF-UHFFFAOYSA-N
Compound name
5-[6,6-dimethylhepta-2,4-diynyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 182.0
[M+Na]+ 317.16244 190.5
[M-H]- 293.16594 182.4
[M+NH4]+ 312.20704 191.4
[M+K]+ 333.13638 182.7
[M+H-H2O]+ 277.17048 166.8
[M+HCOO]- 339.17142 186.4
[M+CH3COO]- 353.18707 224.3
[M+Na-2H]- 315.14789 180.9
[M]+ 294.17267 171.6
[M]- 294.17377 171.6
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.