CID 119030973

1-(4-amino-6-bromoquinolin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H9BrN2O
SMILES
CC(=O)C1=CN=C2C=CC(=CC2=C1N)Br
InChI
InChI=1S/C11H9BrN2O/c1-6(15)9-5-14-10-3-2-7(12)4-8(10)11(9)13/h2-5H,1H3,(H2,13,14)
InChIKey
PYPDLSBRIRORKP-UHFFFAOYSA-N
Compound name
1-(4-amino-6-bromoquinolin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.98984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99712 148.7
[M+Na]+ 286.97906 161.2
[M-H]- 262.98256 154.6
[M+NH4]+ 282.02366 168.6
[M+K]+ 302.95300 149.2
[M+H-H2O]+ 246.98710 147.8
[M+HCOO]- 308.98804 168.5
[M+CH3COO]- 323.00369 196.7
[M+Na-2H]- 284.96451 155.9
[M]+ 263.98929 166.8
[M]- 263.99039 166.8
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