CID 452564

5'-diprpo4 azt

Structural Information

Molecular Formula
C16H26N5O7P
SMILES
CCCOP(=O)(OCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C16H26N5O7P/c1-4-6-25-29(24,26-7-5-2)27-10-13-12(19-20-17)8-14(28-13)21-9-11(3)15(22)18-16(21)23/h9,12-14H,4-8,10H2,1-3H3,(H,18,22,23)/t12-,13+,14+/m0/s1
InChIKey
DGDLYXYFBAJJJY-BFHYXJOUSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dipropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.15698 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16426 195.9
[M+Na]+ 454.14620 200.1
[M-H]- 430.14970 201.1
[M+NH4]+ 449.19080 203.1
[M+K]+ 470.12014 194.9
[M+H-H2O]+ 414.15424 188.5
[M+HCOO]- 476.15518 223.9
[M+CH3COO]- 490.17083 227.1
[M+Na-2H]- 452.13165 200.8
[M]+ 431.15643 200.2
[M]- 431.15753 200.2
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.