CID 6476838

Chembl416596

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC(=O)N(C/C=C/C#CC(C)(C)C)C1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C20H24N2O2/c1-15(23)22(14-7-5-6-13-20(2,3)4)18-10-8-9-17-16(18)11-12-19(24)21-17/h5,7-10H,11-12,14H2,1-4H3,(H,21,24)/b7-5+
InChIKey
VKNYDBUDLGIVAD-FNORWQNLSA-N
Compound name
N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 185.0
[M+Na]+ 347.17300 191.8
[M-H]- 323.17650 185.1
[M+NH4]+ 342.21760 196.8
[M+K]+ 363.14694 185.0
[M+H-H2O]+ 307.18104 171.6
[M+HCOO]- 369.18198 194.7
[M+CH3COO]- 383.19763 216.7
[M+Na-2H]- 345.15845 184.7
[M]+ 324.18323 177.7
[M]- 324.18433 177.7
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.