CID 477855

Schembl25400704

Structural Information

Molecular Formula
C10H15N3O5
SMILES
C[C@]1([C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)CO
InChI
InChI=1S/C10H15N3O5/c1-10(4-14)7(16)6(15)8(18-10)13-3-2-5(11)12-9(13)17/h2-3,6-8,14-16H,4H2,1H3,(H2,11,12,17)/t6-,7-,8+,10+/m0/s1
InChIKey
MUBNRBNWTUDOEJ-QHOPCYEYSA-N
Compound name
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

257.10117 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.108446 154.0
[M+Na]+ 280.090388 163.3
[M-H]- 256.093894 155.7
[M+NH4]+ 275.134993 168.6
[M+K]+ 296.064328 161.2
[M+H-H2O]+ 240.098430 147.8
[M+HCOO]- 302.099371 171.0
[M+CH3COO]- 316.115021 189.3
[M+Na-2H]- 278.075836 156.6
[M]+ 257.10062142 153.0
[M]- 257.10171858 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe