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]+ 297.19615 178.0
[M+Na]+ 319.17809 185.3
[M-H]- 295.18159 178.2
[M+NH4]+ 314.22269 191.0
[M+K]+ 335.15203 178.1
[M+H-H2O]+ 279.18613 164.6
[M+HCOO]- 341.18707 188.6
[M+CH3COO]- 355.20272 212.6
[M+Na-2H]- 317.16354 179.2
[M]+ 296.18832 170.4
[M]- 296.18942 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.