CID 485843

2-[6,7-dichloro-2-(cyclopropylamino)imidazo[4,5-b]quinoxalin-3-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C17H17Cl2N5O4
SMILES
C1CC1NC2=NC3=NC4=CC(=C(C=C4N=C3N2C5C(C(C(O5)CO)O)O)Cl)Cl
InChI
InChI=1S/C17H17Cl2N5O4/c18-7-3-9-10(4-8(7)19)22-15-14(21-9)23-17(20-6-1-2-6)24(15)16-13(27)12(26)11(5-25)28-16/h3-4,6,11-13,16,25-27H,1-2,5H2,(H,20,21,23)
InChIKey
CAAXSURGVUSOQH-UHFFFAOYSA-N
Compound name
2-[6,7-dichloro-2-(cyclopropylamino)imidazo[4,5-b]quinoxalin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.06577 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.07305 194.6
[M+Na]+ 448.05499 207.3
[M-H]- 424.05849 198.8
[M+NH4]+ 443.09959 198.9
[M+K]+ 464.02893 198.8
[M+H-H2O]+ 408.06303 187.8
[M+HCOO]- 470.06397 198.9
[M+CH3COO]- 484.07962 202.5
[M+Na-2H]- 446.04044 192.9
[M]+ 425.06522 201.8
[M]- 425.06632 201.8
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

No patent data available for this compound.