CID 71313317

133084-70-5

Structural Information

Molecular Formula
C19H20N4O6
SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C19H20N4O6/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-17-14(26)12(24)13(25)15(29-17)18(27)28/h2-8,12-15,17,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,17+/m0/s1
InChIKey
SQVPGYDPSLNFET-KSXIZUIISA-N
Compound name
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)amino]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.13828 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14556 192.3
[M+Na]+ 423.12750 199.6
[M-H]- 399.13100 196.1
[M+NH4]+ 418.17210 197.6
[M+K]+ 439.10144 195.6
[M+H-H2O]+ 383.13554 182.9
[M+HCOO]- 445.13648 204.0
[M+CH3COO]- 459.15213 199.9
[M+Na-2H]- 421.11295 192.3
[M]+ 400.13773 191.8
[M]- 400.13883 191.8
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.