CID 6476833

Chembl36446

Structural Information

Molecular Formula
C20H26N2O
SMILES
CCN(C/C=C/C#CC(C)(C)C)C1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C20H26N2O/c1-5-22(15-8-6-7-14-20(2,3)4)18-11-9-10-17-16(18)12-13-19(23)21-17/h6,8-11H,5,12-13,15H2,1-4H3,(H,21,23)/b8-6+
InChIKey
ZIZKDDDDUBHGRJ-SOFGYWHQSA-N
Compound name
5-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.2045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 181.9
[M+Na]+ 333.19372 188.8
[M-H]- 309.19722 181.9
[M+NH4]+ 328.23832 194.3
[M+K]+ 349.16766 181.4
[M+H-H2O]+ 293.20176 168.4
[M+HCOO]- 355.20270 192.2
[M+CH3COO]- 369.21835 215.3
[M+Na-2H]- 331.17917 182.7
[M]+ 310.20395 174.5
[M]- 310.20505 174.5
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.