CID 452553

Glc-hexyl-co3 azt

Structural Information

Molecular Formula
C23H35N5O12
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OCCCCCCOC3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N=[N+]=[N-]
InChI
InChI=1S/C23H35N5O12/c1-12-9-28(22(34)25-20(12)33)16-8-13(26-27-24)15(39-16)11-38-23(35)37-7-5-3-2-4-6-36-21-19(32)18(31)17(30)14(10-29)40-21/h9,13-19,21,29-32H,2-8,10-11H2,1H3,(H,25,33,34)/t13-,14+,15+,16+,17+,18-,19-,21?/m0/s1
InChIKey
WWCCVYPVKIUNTJ-HJRCHXISSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 6-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.2282 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.23548 231.4
[M+Na]+ 596.21742 232.3
[M-H]- 572.22092 226.0
[M+NH4]+ 591.26202 232.2
[M+K]+ 612.19136 231.7
[M+H-H2O]+ 556.22546 220.4
[M+HCOO]- 618.22640 234.0
[M+CH3COO]- 632.24205 247.9
[M+Na-2H]- 594.20287 255.8
[M]+ 573.22765 249.0
[M]- 573.22875 249.0
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.