CID 476808

(tbusate)2aztmp

Structural Information

Molecular Formula
C24H38N5O9PS2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)N=[N+]=[N-]
InChI
InChI=1S/C24H38N5O9PS2/c1-15-13-29(22(33)26-19(15)30)18-12-16(27-28-25)17(38-18)14-37-39(34,35-8-10-40-20(31)23(2,3)4)36-9-11-41-21(32)24(5,6)7/h13,16-18H,8-12,14H2,1-7H3,(H,26,30,33)/t16-,17+,18+/m0/s1
InChIKey
CFDVQBLZFZMDDH-RCCFBDPRSA-N
Compound name
S-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

635.1849 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.19218 244.0
[M+Na]+ 658.17412 256.4
[M-H]- 634.17762 251.0
[M+NH4]+ 653.21872 257.7
[M+K]+ 674.14806 249.2
[M+H-H2O]+ 618.18216 230.4
[M+HCOO]- 680.18310 269.7
[M+CH3COO]- 694.19875 258.2
[M+Na-2H]- 656.15957 231.0
[M]+ 635.18435 243.8
[M]- 635.18545 243.8
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.