CID 452563

5'-dietpo4 azt

Structural Information

Molecular Formula
C14H22N5O7P
SMILES
CCOP(=O)(OCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C14H22N5O7P/c1-4-23-27(22,24-5-2)25-8-11-10(17-18-15)6-12(26-11)19-7-9(3)13(20)16-14(19)21/h7,10-12H,4-6,8H2,1-3H3,(H,16,20,21)/t10-,11+,12+/m0/s1
InChIKey
FXULNIGVPLOPNT-QJPTWQEYSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.12567 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.13295 186.5
[M+Na]+ 426.11489 191.6
[M-H]- 402.11839 192.1
[M+NH4]+ 421.15949 194.9
[M+K]+ 442.08883 186.8
[M+H-H2O]+ 386.12293 179.6
[M+HCOO]- 448.12387 215.3
[M+CH3COO]- 462.13952 221.1
[M+Na-2H]- 424.10034 192.4
[M]+ 403.12512 190.2
[M]- 403.12622 190.2
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.