CID 101483266

Brimonidine-2,3-dione

Structural Information

Molecular Formula
C11H10BrN5O2
SMILES
C1CN=C(N1)NC2=C(C3=C(C=C2)NC(=O)C(=O)N3)Br
InChI
InChI=1S/C11H10BrN5O2/c12-7-5(16-11-13-3-4-14-11)1-2-6-8(7)17-10(19)9(18)15-6/h1-2H,3-4H2,(H,15,18)(H,17,19)(H2,13,14,16)
InChIKey
HCKOHBASICGZOR-UHFFFAOYSA-N
Compound name
5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0018 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.00908 169.1
[M+Na]+ 345.99102 171.7
[M+NH4]+ 341.03562 170.9
[M+K]+ 361.96496 174.0
[M-H]- 321.99452 167.9
[M+Na-2H]- 343.97647 170.2
[M]+ 323.00125 167.6
[M]- 323.00235 167.6
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

No patent data available for this compound.