CID 125836

5'-o-aminothymidine

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON)O
InChI
InChI=1S/C10H15N3O5/c1-5-3-13(10(16)12-9(5)15)8-2-6(14)7(18-8)4-17-11/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKey
CHNUETKYLYMAAU-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

422
Patents

257.10117 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 154.4
[M+Na]+ 280.09039 163.4
[M-H]- 256.09389 157.1
[M+NH4]+ 275.13499 167.5
[M+K]+ 296.06433 161.1
[M+H-H2O]+ 240.09843 147.0
[M+HCOO]- 302.09937 173.0
[M+CH3COO]- 316.11502 191.3
[M+Na-2H]- 278.07584 155.8
[M]+ 257.10062 154.0
[M]- 257.10172 154.0
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

patents stripe