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]+ 259.14412 160.1
[M+Na]+ 281.12606 168.9
[M-H]- 257.12956 163.5
[M+NH4]+ 276.17066 176.9
[M+K]+ 297.10000 165.8
[M+H-H2O]+ 241.13410 153.0
[M+HCOO]- 303.13504 180.2
[M+CH3COO]- 317.15069 203.5
[M+Na-2H]- 279.11151 162.5
[M]+ 258.13629 162.3
[M]- 258.13739 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.