CID 492581

Chembl285445

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC(C)(C#CC#CCN(C)C1=CC=CC2=C1CCC(=O)N2)O
InChI
InChI=1S/C18H20N2O2/c1-18(2,22)12-5-4-6-13-20(3)16-9-7-8-15-14(16)10-11-17(21)19-15/h7-9,22H,10-11,13H2,1-3H3,(H,19,21)
InChIKey
JAZVMRRIEXMNMF-UHFFFAOYSA-N
Compound name
5-[(6-hydroxy-6-methylhepta-2,4-diynyl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 182.5
[M+Na]+ 319.14169 190.8
[M-H]- 295.14519 182.1
[M+NH4]+ 314.18629 191.3
[M+K]+ 335.11563 183.4
[M+H-H2O]+ 279.14973 167.5
[M+HCOO]- 341.15067 186.2
[M+CH3COO]- 355.16632 222.2
[M+Na-2H]- 317.12714 181.4
[M]+ 296.15192 171.6
[M]- 296.15302 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.