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
7
Annotation Hits

1932
References

17731
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

literature stripe

Patent stripe

patents stripe