CID 453781

3'-amino-2',3'-dideoxy-5-hydroxymethyluridine

Structural Information

Molecular Formula
C10H15N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)CO)N
InChI
InChI=1S/C10H15N3O5/c11-6-1-8(18-7(6)4-15)13-2-5(3-14)9(16)12-10(13)17/h2,6-8,14-15H,1,3-4,11H2,(H,12,16,17)/t6-,7+,8+/m0/s1
InChIKey
KWXQYCPWYWVOSG-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.10117 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 155.2
[M+Na]+ 280.09039 163.7
[M-H]- 256.09389 156.5
[M+NH4]+ 275.13499 167.6
[M+K]+ 296.06433 160.6
[M+H-H2O]+ 240.09843 147.9
[M+HCOO]- 302.09937 172.3
[M+CH3COO]- 316.11502 189.2
[M+Na-2H]- 278.07584 156.1
[M]+ 257.10062 152.9
[M]- 257.10172 152.9
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.