CID 485845

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

Structural Information

Molecular Formula
C14H12Cl2N4O4
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C3C(=N2)N=CN3C4C(C(C(O4)CO)O)O
InChI
InChI=1S/C14H12Cl2N4O4/c15-5-1-7-8(2-6(5)16)19-13-12(18-7)17-4-20(13)14-11(23)10(22)9(3-21)24-14/h1-2,4,9-11,14,21-23H,3H2
InChIKey
WCDLKFDMGMUZSG-UHFFFAOYSA-N
Compound name
2-(6,7-dichloroimidazo[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

370.02356 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03084 179.7
[M+Na]+ 393.01278 192.7
[M-H]- 369.01628 181.1
[M+NH4]+ 388.05738 191.0
[M+K]+ 408.98672 186.8
[M+H-H2O]+ 353.02082 172.5
[M+HCOO]- 415.02176 183.6
[M+CH3COO]- 429.03741 189.4
[M+Na-2H]- 390.99823 179.3
[M]+ 370.02301 185.2
[M]- 370.02411 185.2
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.