CID 169434965

Brimonidine n,n-methylene dimer isomer

Structural Information

Molecular Formula
C23H20Br2N10
SMILES
C1CN(C(=N1)NC2=C(C3=NC=CN=C3C=C2)Br)CN4CCN=C4NC5=C(C6=NC=CN=C6C=C5)Br
InChI
InChI=1S/C23H20Br2N10/c24-18-14(1-3-16-20(18)28-7-5-26-16)32-22-30-9-11-34(22)13-35-12-10-31-23(35)33-15-2-4-17-21(19(15)25)29-8-6-27-17/h1-8H,9-13H2,(H,30,32)(H,31,33)
InChIKey
UVTVGXPIILNHRX-UHFFFAOYSA-N
Compound name
5-bromo-N-[1-[[2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]methyl]-4,5-dihydroimidazol-2-yl]quinoxalin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.0239 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.03118 220.3
[M+Na]+ 617.01312 217.1
[M+NH4]+ 612.05772 220.1
[M+K]+ 632.98706 222.4
[M-H]- 593.01662 222.6
[M+Na-2H]- 614.99857 220.7
[M]+ 594.02335 219.5
[M]- 594.02445 219.5
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.