CID 6477175

Chembl285056

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCCCN(C/C=C/C#CC(C)(C)C)C1=CC=CC2=C1CCC(=O)N2
InChI
InChI=1S/C22H30N2O/c1-5-6-16-24(17-9-7-8-15-22(2,3)4)20-12-10-11-19-18(20)13-14-21(25)23-19/h7,9-12H,5-6,13-14,16-17H2,1-4H3,(H,23,25)/b9-7+
InChIKey
JAFCGPYJCLICIG-VQHVLOKHSA-N
Compound name
5-[butyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]amino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.2358 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.243076 189.6
[M+Na]+ 361.225018 195.7
[M-H]- 337.228524 189.2
[M+NH4]+ 356.269623 201.0
[M+K]+ 377.198958 187.8
[M+H-H2O]+ 321.233060 175.7
[M+HCOO]- 383.234001 199.3
[M+CH3COO]- 397.249651 220.7
[M+Na-2H]- 359.210466 189.5
[M]+ 338.23525142 182.9
[M]- 338.23634858 182.9
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.