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

30
Patents

269.00513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 149.5
[M+Na]+ 291.99435 162.0
[M-H]- 267.99785 155.6
[M+NH4]+ 287.03895 170.0
[M+K]+ 307.96829 151.2
[M+H-H2O]+ 252.00239 149.3
[M+HCOO]- 314.00333 167.3
[M+CH3COO]- 328.01898 195.6
[M+Na-2H]- 289.97980 156.1
[M]+ 269.00458 168.8
[M]- 269.00568 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