CID 485844

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

Structural Information

Molecular Formula
C17H19Cl2N5O4
SMILES
CC(C)NC1=NC2=NC3=CC(=C(C=C3N=C2N1C4C(C(C(O4)CO)O)O)Cl)Cl
InChI
InChI=1S/C17H19Cl2N5O4/c1-6(2)20-17-23-14-15(22-10-4-8(19)7(18)3-9(10)21-14)24(17)16-13(27)12(26)11(5-25)28-16/h3-4,6,11-13,16,25-27H,5H2,1-2H3,(H,20,21,23)
InChIKey
GHVFXLCFRDYFAN-UHFFFAOYSA-N
Compound name
2-[6,7-dichloro-2-(propan-2-ylamino)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

427.08142 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.08870 197.0
[M+Na]+ 450.07064 208.1
[M-H]- 426.07414 198.6
[M+NH4]+ 445.11524 205.9
[M+K]+ 466.04458 202.5
[M+H-H2O]+ 410.07868 189.9
[M+HCOO]- 472.07962 200.1
[M+CH3COO]- 486.09527 205.1
[M+Na-2H]- 448.05609 194.5
[M]+ 427.08087 203.0
[M]- 427.08197 203.0
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.