CID 135912123

1055027-48-9

Structural Information

Molecular Formula
C10H13N3O5
SMILES
C1=CON=C1C2=NC=C(N2)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C10H13N3O5/c14-4-7(15)9(17)8(16)6-3-11-10(12-6)5-1-2-18-13-5/h1-3,7-9,14-17H,4H2,(H,11,12)/t7-,8-,9-/m1/s1
InChIKey
WGDPRIZUIYIENM-IWSPIJDZSA-N
Compound name
(1R,2S,3R)-1-[2-(1,2-oxazol-3-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

64
Patents

255.08553 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09281 154.5
[M+Na]+ 278.07475 161.8
[M+NH4]+ 273.11935 157.5
[M+K]+ 294.04869 165.8
[M-H]- 254.07825 152.2
[M+Na-2H]- 276.06020 155.9
[M]+ 255.08498 154.2
[M]- 255.08608 154.2
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

patents stripe