CID 121230711

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(((1-methyl-6-phenyl-1h-imidazo[4,5-b]pyridin-2-yl)amino)oxy)tetrahydro-2h-pyran-2-carboxylic acid

Structural Information

Molecular Formula
C19H20N4O7
SMILES
CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1NO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C19H20N4O7/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-30-18-14(26)12(24)13(25)15(29-18)17(27)28/h2-8,12-15,18,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,18-/m0/s1
InChIKey
YZOJGZCDCRPMLU-GLRLOKQVSA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)amino]oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

416.1332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.140476 193.8
[M+Na]+ 439.122418 200.6
[M-H]- 415.125924 197.5
[M+NH4]+ 434.167023 198.2
[M+K]+ 455.096358 197.5
[M+H-H2O]+ 399.130460 184.2
[M+HCOO]- 461.131401 205.6
[M+CH3COO]- 475.147051 221.3
[M+Na-2H]- 437.107866 194.1
[M]+ 416.13265142 194.6
[M]- 416.13374858 194.6
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.