CID 511245

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hexyl hydrogen phosphate

Structural Information

Molecular Formula
C16H26N5O7P
SMILES
CCCCCCOP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C16H26N5O7P/c1-3-4-5-6-7-26-29(24,25)27-10-13-12(19-20-17)8-14(28-13)21-9-11(2)15(22)18-16(21)23/h9,12-14H,3-8,10H2,1-2H3,(H,24,25)(H,18,22,23)/t12-,13+,14+/m0/s1
InChIKey
TXGIUXGRMRWFSX-BFHYXJOUSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hexyl hydrogen 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 196.0
[M+Na]+ 454.14620 199.6
[M-H]- 430.14970 199.8
[M+NH4]+ 449.19080 202.5
[M+K]+ 470.12014 193.7
[M+H-H2O]+ 414.15424 188.8
[M+HCOO]- 476.15518 222.5
[M+CH3COO]- 490.17083 224.8
[M+Na-2H]- 452.13165 200.5
[M]+ 431.15643 198.4
[M]- 431.15753 198.4
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.