CID 159269

Telbivudine

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O
InChI
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1
InChIKey
IQFYYKKMVGJFEH-CSMHCCOUSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

44256
References

202017
Patents

242.09027 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 152.0
[M+Na]+ 265.07949 162.6
[M+NH4]+ 260.12409 156.5
[M+K]+ 281.05343 161.9
[M-H]- 241.08299 152.2
[M+Na-2H]- 263.06494 154.0
[M]+ 242.08972 153.1
[M]- 242.09082 153.1
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