CID 3008488

1-(8-amino-2-tert-butyl-6-quinolyl)ethanone

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC(=O)C1=CC(=C2C(=C1)C=CC(=N2)C(C)(C)C)N
InChI
InChI=1S/C15H18N2O/c1-9(18)11-7-10-5-6-13(15(2,3)4)17-14(10)12(16)8-11/h5-8H,16H2,1-4H3
InChIKey
GBVXUPGWPBMJLN-UHFFFAOYSA-N
Compound name
1-(8-amino-2-tert-butylquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 157.5
[M+Na]+ 265.131118 166.3
[M-H]- 241.134624 160.8
[M+NH4]+ 260.175723 175.0
[M+K]+ 281.105058 162.6
[M+H-H2O]+ 225.139160 151.0
[M+HCOO]- 287.140101 176.9
[M+CH3COO]- 301.155751 198.9
[M+Na-2H]- 263.116566 162.6
[M]+ 242.14135142 157.9
[M]- 242.14244858 157.9
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.