CID 169434965

N,n'-(1,1'-methylenebis(4,5-dihydro-1h-imidazole-2,1-diyl))bis(5-bromoquinoxalin-6-amine)

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 190.0
[M+Na]+ 617.01312 199.1
[M-H]- 593.01662 198.5
[M+NH4]+ 612.05772 195.1
[M+K]+ 632.98706 184.0
[M+H-H2O]+ 577.02116 194.9
[M+HCOO]- 639.02210 199.7
[M+CH3COO]- 653.03775 198.4
[M+Na-2H]- 614.99857 195.1
[M]+ 594.02335 222.2
[M]- 594.02445 222.2
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.