CID 161500

Aminoimidazole ribotide

Structural Information

Molecular Formula
C8H14N3O7P
SMILES
C1=C(N(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
InChI
InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
InChIKey
PDACUKOKVHBVHJ-XVFCMESISA-N
Compound name
[(2R,3S,4R,5R)-5-(5-aminoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

575
Patents

295.05695 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06423 160.8
[M+Na]+ 318.04617 164.8
[M+NH4]+ 313.09077 162.6
[M+K]+ 334.02011 170.7
[M-H]- 294.04967 157.9
[M+Na-2H]- 316.03162 158.9
[M]+ 295.05640 159.5
[M]- 295.05750 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