CID 66560027

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

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
CCOC1=C(C=C2CCC(=O)N(C2=C1)C)Br
InChI
InChI=1S/C12H14BrNO2/c1-3-16-11-7-10-8(6-9(11)13)4-5-12(15)14(10)2/h6-7H,3-5H2,1-2H3
InChIKey
UYVLABJFJCNDHL-UHFFFAOYSA-N
Compound name
6-bromo-7-ethoxy-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02078 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 154.2
[M+Na]+ 306.01000 166.3
[M-H]- 282.01350 160.1
[M+NH4]+ 301.05460 174.1
[M+K]+ 321.98394 155.2
[M+H-H2O]+ 266.01804 153.7
[M+HCOO]- 328.01898 171.7
[M+CH3COO]- 342.03463 198.4
[M+Na-2H]- 303.99545 160.2
[M]+ 283.02023 173.8
[M]- 283.02133 173.8
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

No patent data available for this compound.