CID 15958333

2,4(1h,3h)-pyrimidinedione, 1-[3-azido-2,3-dideoxy-5-o-[(1,1-dimethylethyl)dimethylsilyl]-.beta.-d-erythro-pentofuranosyl]-3-(carboxymethyl)-5-methyl-

Structural Information

Molecular Formula
C18H29N5O6Si
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-]
InChI
InChI=1S/C18H29N5O6Si/c1-11-8-22(17(27)23(16(11)26)9-15(24)25)14-7-12(20-21-19)13(29-14)10-28-30(5,6)18(2,3)4/h8,12-14H,7,9-10H2,1-6H3,(H,24,25)/t12-,13+,14+/m0/s1
InChIKey
LXEAYNOERPBKBK-BFHYXJOUSA-N
Compound name
2-[3-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.18872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19600 201.9
[M+Na]+ 462.17794 207.3
[M-H]- 438.18144 208.7
[M+NH4]+ 457.22254 209.5
[M+K]+ 478.15188 201.7
[M+H-H2O]+ 422.18598 198.2
[M+HCOO]- 484.18692 221.3
[M+CH3COO]- 498.20257 228.8
[M+Na-2H]- 460.16339 207.5
[M]+ 439.18817 204.5
[M]- 439.18927 204.5
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

No patent data available for this compound.