CID 453835

3'-deoxy-3'-fluoro-4'-methoxythymidine

Structural Information

Molecular Formula
C11H15FN2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(CO)OC)F
InChI
InChI=1S/C11H15FN2O5/c1-6-4-14(10(17)13-9(6)16)8-3-7(12)11(5-15,18-2)19-8/h4,7-8,15H,3,5H2,1-2H3,(H,13,16,17)/t7-,8+,11+/m0/s1
InChIKey
PKNGRZBEFFETFH-VAOFZXAKSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

274.0965 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10378 154.3
[M+Na]+ 297.08572 164.9
[M-H]- 273.08922 156.3
[M+NH4]+ 292.13032 169.5
[M+K]+ 313.05966 162.7
[M+H-H2O]+ 257.09376 147.3
[M+HCOO]- 319.09470 171.3
[M+CH3COO]- 333.11035 191.6
[M+Na-2H]- 295.07117 156.9
[M]+ 274.09595 155.4
[M]- 274.09705 155.4
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