CID 2435

Brimonidine

Structural Information

Molecular Formula
C11H10BrN5
SMILES
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br
InChI
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
InChIKey
XYLJNLCSTIOKRM-UHFFFAOYSA-N
Compound name
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1934
References

16675
Patents

291.01196 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01924 154.3
[M+Na]+ 314.00118 166.0
[M-H]- 290.00468 158.4
[M+NH4]+ 309.04578 170.2
[M+K]+ 329.97512 153.0
[M+H-H2O]+ 274.00922 151.8
[M+HCOO]- 336.01016 171.2
[M+CH3COO]- 350.02581 167.0
[M+Na-2H]- 311.98663 162.9
[M]+ 291.01141 169.8
[M]- 291.01251 169.8
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.