CID 493611

1-[2-o-tert-butyldimethylsilyl-3-c-[(1s)-2-amino-1-azido-2-oxoethyl]-.beta.-d-d-xylofuranosyl]uracil

Structural Information

Molecular Formula
C17H28N6O7Si
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H](C1(C(C(=O)N)N=[N+]=[N-])O)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C17H28N6O7Si/c1-16(2,3)31(4,5)30-12-14(23-7-6-10(25)20-15(23)27)29-9(8-24)17(12,28)11(13(18)26)21-22-19/h6-7,9,11-12,14,24,28H,8H2,1-5H3,(H2,18,26)(H,20,25,27)/t9-,11?,12+,14-,17?/m1/s1
InChIKey
RNFKVXGKIPGBKI-VAKBPFRWSA-N
Compound name
2-azido-2-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.17886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18614 197.2
[M+Na]+ 479.16808 200.4
[M-H]- 455.17158 200.7
[M+NH4]+ 474.21268 203.6
[M+K]+ 495.14202 195.4
[M+H-H2O]+ 439.17612 194.9
[M+HCOO]- 501.17706 213.6
[M+CH3COO]- 515.19271 227.3
[M+Na-2H]- 477.15353 204.6
[M]+ 456.17831 194.9
[M]- 456.17941 194.9
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.