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]+ 258.10845 154.9
[M+Na]+ 280.09039 163.6
[M-H]- 256.09389 157.6
[M+NH4]+ 275.13499 168.1
[M+K]+ 296.06433 162.0
[M+H-H2O]+ 240.09843 147.4
[M+HCOO]- 302.09937 173.4
[M+CH3COO]- 316.11502 191.9
[M+Na-2H]- 278.07584 156.4
[M]+ 257.10062 155.2
[M]- 257.10172 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.