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]+ 243.14918 157.5
[M+Na]+ 265.13112 166.3
[M-H]- 241.13462 160.8
[M+NH4]+ 260.17572 175.0
[M+K]+ 281.10506 162.6
[M+H-H2O]+ 225.13916 151.0
[M+HCOO]- 287.14010 176.9
[M+CH3COO]- 301.15575 198.9
[M+Na-2H]- 263.11657 162.6
[M]+ 242.14135 157.9
[M]- 242.14245 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.