CID 79295492

7-bromo-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
CC1(C(=O)NC2=C(N1)C=CC(=C2)Br)C
InChI
InChI=1S/C10H11BrN2O/c1-10(2)9(14)12-8-5-6(11)3-4-7(8)13-10/h3-5,13H,1-2H3,(H,12,14)
InChIKey
XDHIJUAZNRHJHV-UHFFFAOYSA-N
Compound name
7-bromo-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 146.5
[M+Na]+ 276.99470 158.8
[M-H]- 252.99820 148.9
[M+NH4]+ 272.03930 166.7
[M+K]+ 292.96864 146.0
[M+H-H2O]+ 237.00274 147.0
[M+HCOO]- 299.00368 160.6
[M+CH3COO]- 313.01933 159.9
[M+Na-2H]- 274.98015 154.5
[M]+ 254.00493 161.4
[M]- 254.00603 161.4
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.