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]+ 339.24308 189.6
[M+Na]+ 361.22502 195.7
[M-H]- 337.22852 189.2
[M+NH4]+ 356.26962 201.0
[M+K]+ 377.19896 187.8
[M+H-H2O]+ 321.23306 175.7
[M+HCOO]- 383.23400 199.3
[M+CH3COO]- 397.24965 220.7
[M+Na-2H]- 359.21047 189.5
[M]+ 338.23525 182.9
[M]- 338.23635 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.