CID 3008495

1-(8-amino-2-isopropyl-5-methoxy-6-quinolyl)ethanone

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(C)C1=NC2=C(C=C(C(=C2C=C1)OC)C(=O)C)N
InChI
InChI=1S/C15H18N2O2/c1-8(2)13-6-5-10-14(17-13)12(16)7-11(9(3)18)15(10)19-4/h5-8H,16H2,1-4H3
InChIKey
NODNOKYSBFXUNT-UHFFFAOYSA-N
Compound name
1-(8-amino-5-methoxy-2-propan-2-ylquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.13684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 160.1
[M+Na]+ 281.126058 168.9
[M-H]- 257.129564 163.5
[M+NH4]+ 276.170663 176.9
[M+K]+ 297.099998 165.8
[M+H-H2O]+ 241.134100 153.0
[M+HCOO]- 303.135041 180.2
[M+CH3COO]- 317.150691 203.5
[M+Na-2H]- 279.111506 162.5
[M]+ 258.13629142 162.3
[M]- 258.13738858 162.3
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.