CID 77623949

874217-03-5

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
CCC1C(=O)NC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C10H11BrN2O/c1-2-7-10(14)13-9-5-6(11)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)
InChIKey
IPNNHNYQOCUNOD-UHFFFAOYSA-N
Compound name
7-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.00548 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 148.2
[M+Na]+ 276.99470 159.6
[M-H]- 252.99820 150.1
[M+NH4]+ 272.03930 166.4
[M+K]+ 292.96864 146.5
[M+H-H2O]+ 237.00274 147.9
[M+HCOO]- 299.00368 162.2
[M+CH3COO]- 313.01933 187.6
[M+Na-2H]- 274.98015 155.0
[M]+ 254.00493 162.6
[M]- 254.00603 162.6
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