CID 5288604

Gluco-phenylimidazole

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C1=CC=C(C=C1)C2=CN3[C@@H]([C@H]([C@@H]([C@H](C3=N2)O)O)O)CO
InChI
InChI=1S/C14H16N2O4/c17-7-10-11(18)12(19)13(20)14-15-9(6-16(10)14)8-4-2-1-3-5-8/h1-6,10-13,17-20H,7H2/t10-,11-,12+,13-/m1/s1
InChIKey
DLVNFMROYKHANV-FVCCEPFGSA-N
Compound name
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

276.111 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.2
[M+Na]+ 299.10022 170.4
[M-H]- 275.10372 162.7
[M+NH4]+ 294.14482 176.1
[M+K]+ 315.07416 165.2
[M+H-H2O]+ 259.10826 155.2
[M+HCOO]- 321.10920 176.3
[M+CH3COO]- 335.12485 172.2
[M+Na-2H]- 297.08567 163.5
[M]+ 276.11045 159.5
[M]- 276.11155 159.5
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

patents stripe