CID 97047874

1821827-53-5

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
C[C@@H]1C(=O)NC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C9H9BrN2O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13)/t5-/m1/s1
InChIKey
KIVJGGNEHZDPNV-RXMQYKEDSA-N
Compound name
(3R)-7-bromo-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98982 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.997096 143.7
[M+Na]+ 262.979038 155.5
[M-H]- 238.982544 145.8
[M+NH4]+ 258.023643 162.5
[M+K]+ 278.952978 142.6
[M+H-H2O]+ 222.987080 143.6
[M+HCOO]- 284.988021 158.0
[M+CH3COO]- 299.003671 157.0
[M+Na-2H]- 260.964486 151.0
[M]+ 239.98927142 157.8
[M]- 239.99036858 157.8
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.