CID 465319

Thymidine deriv.

Structural Information

Molecular Formula
C16H26F2N2O5Si
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C([C@H]([C@@H](O2)CO)O[Si](C)(C)C(C)(C)C)(F)F
InChI
InChI=1S/C16H26F2N2O5Si/c1-9-7-20(14(23)19-12(9)22)13-16(17,18)11(10(8-21)24-13)25-26(5,6)15(2,3)4/h7,10-11,13,21H,8H2,1-6H3,(H,19,22,23)/t10-,11-,13-/m0/s1
InChIKey
SHIXSJFECWHSOB-GVXVVHGQSA-N
Compound name
1-[(2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

392.1579 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16518 185.1
[M+Na]+ 415.14712 194.5
[M-H]- 391.15062 185.7
[M+NH4]+ 410.19172 196.5
[M+K]+ 431.12106 192.1
[M+H-H2O]+ 375.15516 178.2
[M+HCOO]- 437.15610 195.6
[M+CH3COO]- 451.17175 214.1
[M+Na-2H]- 413.13257 186.1
[M]+ 392.15735 186.3
[M]- 392.15845 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.