CID 3008490

1-[2-(1-adamantyl)-8-amino-6-quinolyl]ethanone

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC(=O)C1=CC(=C2C(=C1)C=CC(=N2)C34CC5CC(C3)CC(C5)C4)N
InChI
InChI=1S/C21H24N2O/c1-12(24)17-7-16-2-3-19(23-20(16)18(22)8-17)21-9-13-4-14(10-21)6-15(5-13)11-21/h2-3,7-8,13-15H,4-6,9-11,22H2,1H3
InChIKey
ICIMPAWEPBTCFF-UHFFFAOYSA-N
Compound name
1-[2-(1-adamantyl)-8-aminoquinolin-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.18887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 173.5
[M+Na]+ 343.17809 175.4
[M-H]- 319.18159 170.6
[M+NH4]+ 338.22269 193.1
[M+K]+ 359.15203 169.8
[M+H-H2O]+ 303.18613 162.7
[M+HCOO]- 365.18707 176.9
[M+CH3COO]- 379.20272 179.6
[M+Na-2H]- 341.16354 181.4
[M]+ 320.18832 171.6
[M]- 320.18942 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

literature stripe

Patent stripe

No patent data available for this compound.