CID 492577

Chembl35895

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC(C)(C)C#CCCCN(C)C1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C19H26N2O/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,5,7,11-12,14H2,1-4H3,(H,20,22)
InChIKey
BAHMRGBDCOVTHS-UHFFFAOYSA-N
Compound name
5-[6,6-dimethylhept-4-ynyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 177.7
[M+Na]+ 321.19372 184.6
[M-H]- 297.19722 177.8
[M+NH4]+ 316.23832 190.6
[M+K]+ 337.16766 178.0
[M+H-H2O]+ 281.20176 164.3
[M+HCOO]- 343.20270 188.1
[M+CH3COO]- 357.21835 214.0
[M+Na-2H]- 319.17917 179.0
[M]+ 298.20395 170.7
[M]- 298.20505 170.7
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.