CID 15956513

2,4(1h,3h)-pyrimidinedione, 1-(3-amino-3,5,6-trideoxy-b-d-ribo-hexofuranosyl)-5-methyl-

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)C)O)N
InChI
InChI=1S/C11H17N3O4/c1-3-6-7(12)8(15)10(18-6)14-4-5(2)9(16)13-11(14)17/h4,6-8,10,15H,3,12H2,1-2H3,(H,13,16,17)/t6-,7-,8-,10-/m1/s1
InChIKey
UYVDZJFYISGMET-FDDDBJFASA-N
Compound name
1-[(2R,3R,4S,5R)-4-amino-5-ethyl-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.1219 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 157.2
[M+Na]+ 278.111118 167.0
[M-H]- 254.114624 160.2
[M+NH4]+ 273.155723 170.9
[M+K]+ 294.085058 163.8
[M+H-H2O]+ 238.119160 150.2
[M+HCOO]- 300.120101 175.3
[M+CH3COO]- 314.135751 193.3
[M+Na-2H]- 276.096566 157.2
[M]+ 255.12135142 156.2
[M]- 255.12244858 156.2
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

No patent data available for this compound.