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
1
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]+ 417.14048 193.8
[M+Na]+ 439.12242 200.6
[M-H]- 415.12592 197.5
[M+NH4]+ 434.16702 198.2
[M+K]+ 455.09636 197.5
[M+H-H2O]+ 399.13046 184.2
[M+HCOO]- 461.13140 205.6
[M+CH3COO]- 475.14705 221.3
[M+Na-2H]- 437.10787 194.1
[M]+ 416.13265 194.6
[M]- 416.13375 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.