CID 10214826

4,5-didehydro brimonidine

Structural Information

Molecular Formula
C11H8BrN5
SMILES
C1=CC2=NC=CN=C2C(=C1NC3=NC=CN3)Br
InChI
InChI=1S/C11H8BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-6H,(H2,15,16,17)
InChIKey
FJXZFBTUCZEINA-UHFFFAOYSA-N
Compound name
5-bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

288.9963 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.003576 151.1
[M+Na]+ 311.985518 164.6
[M-H]- 287.989024 155.9
[M+NH4]+ 307.030123 167.2
[M+K]+ 327.959458 151.3
[M+H-H2O]+ 271.993560 148.8
[M+HCOO]- 333.994501 170.7
[M+CH3COO]- 348.010151 164.9
[M+Na-2H]- 309.970966 161.8
[M]+ 288.99575142 169.3
[M]- 288.99684858 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe