CID 33039

Alovudine

Structural Information

Molecular Formula
C10H13FN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKey
UXCAQJAQSWSNPQ-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

650
References

8694
Patents

244.08594 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09322 149.6
[M+Na]+ 267.07516 159.9
[M-H]- 243.07866 151.4
[M+NH4]+ 262.11976 164.0
[M+K]+ 283.04910 156.9
[M+H-H2O]+ 227.08320 141.9
[M+HCOO]- 289.08414 166.7
[M+CH3COO]- 303.09979 186.7
[M+Na-2H]- 265.06061 150.9
[M]+ 244.08539 148.4
[M]- 244.08649 148.4
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