CID 6481829

3'-o-methyl-arac

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CO[C@@H]1[C@H](O[C@H]([C@H]1O)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C10H15N3O5/c1-17-8-5(4-14)18-9(7(8)15)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7+,8-,9-/m1/s1
InChIKey
RZJCFLSPBDUNDH-VCGXYPBASA-N
Compound name
4-amino-1-[(2R,3S,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.10117 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.108446 154.9
[M+Na]+ 280.090388 163.6
[M-H]- 256.093894 157.6
[M+NH4]+ 275.134993 168.1
[M+K]+ 296.064328 162.0
[M+H-H2O]+ 240.098430 147.4
[M+HCOO]- 302.099371 173.4
[M+CH3COO]- 316.115021 191.9
[M+Na-2H]- 278.075836 156.4
[M]+ 257.10062142 155.2
[M]- 257.10171858 155.2
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.