CID 6476832

Chembl35760

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC(C)(C)C#C/C=C/CN(C)C1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+
InChIKey
VSNGZUTZRHENIM-FNORWQNLSA-N
Compound name
5-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-methylamino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 178.0
[M+Na]+ 319.178088 185.3
[M-H]- 295.181594 178.2
[M+NH4]+ 314.222693 191.0
[M+K]+ 335.152028 178.1
[M+H-H2O]+ 279.186130 164.6
[M+HCOO]- 341.187071 188.6
[M+CH3COO]- 355.202721 212.6
[M+Na-2H]- 317.163536 179.2
[M]+ 296.18832142 170.4
[M]- 296.18941858 170.4
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.