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]+ 264.997116 148.7
[M+Na]+ 286.979058 161.2
[M-H]- 262.982564 154.6
[M+NH4]+ 282.023663 168.6
[M+K]+ 302.952998 149.2
[M+H-H2O]+ 246.987100 147.8
[M+HCOO]- 308.988041 168.5
[M+CH3COO]- 323.003691 196.7
[M+Na-2H]- 284.964506 155.9
[M]+ 263.98929142 166.8
[M]- 263.99038858 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