CID 66560025

6-bromo-7-methoxy-1-methyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
CN1C(=O)CCC2=CC(=C(C=C21)OC)Br
InChI
InChI=1S/C11H12BrNO2/c1-13-9-6-10(15-2)8(12)5-7(9)3-4-11(13)14/h5-6H,3-4H2,1-2H3
InChIKey
JPXWREWDTVNWQS-UHFFFAOYSA-N
Compound name
6-bromo-7-methoxy-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

269.00513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 149.5
[M+Na]+ 291.994348 162.0
[M-H]- 267.997854 155.6
[M+NH4]+ 287.038953 170.0
[M+K]+ 307.968288 151.2
[M+H-H2O]+ 252.002390 149.3
[M+HCOO]- 314.003331 167.3
[M+CH3COO]- 328.018981 195.6
[M+Na-2H]- 289.979796 156.1
[M]+ 269.00458142 168.8
[M]- 269.00567858 168.8
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

patents stripe