CID 5272204

6-(.beta.-d-ribofuranosyl)-2-ethyl-6h-imidazol[1,2-c]-pyrimidim-5-one

Structural Information

Molecular Formula
C13H17N3O5
SMILES
CCC1=CN2C(=N1)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C13H17N3O5/c1-2-7-5-16-9(14-7)3-4-15(13(16)20)12-11(19)10(18)8(6-17)21-12/h3-5,8,10-12,17-19H,2,6H2,1H3/t8-,10-,11-,12-/m1/s1
InChIKey
RJOSORRQMJBBAR-HJQYOEGKSA-N
Compound name
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-ethylimidazo[1,2-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.11682 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12410 164.8
[M+Na]+ 318.10604 175.6
[M-H]- 294.10954 167.1
[M+NH4]+ 313.15064 178.1
[M+K]+ 334.07998 172.3
[M+H-H2O]+ 278.11408 158.2
[M+HCOO]- 340.11502 181.0
[M+CH3COO]- 354.13067 195.7
[M+Na-2H]- 316.09149 165.0
[M]+ 295.11627 168.1
[M]- 295.11737 168.1
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.