CID 454862

D4t 5'(pr meoala)po4

Structural Information

Molecular Formula
C17H26N3O8P
SMILES
CCCOP(=O)(NC(C)C(=O)OC)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C17H26N3O8P/c1-5-8-26-29(24,19-12(3)16(22)25-4)27-10-13-6-7-14(28-13)20-9-11(2)15(21)18-17(20)23/h6-7,9,12-14H,5,8,10H2,1-4H3,(H,19,24)(H,18,21,23)/t12?,13-,14+,29?/m0/s1
InChIKey
GBEFLIFBOXKLBC-REGNVPRVSA-N
Compound name
methyl 2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-propoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14575 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15303 195.7
[M+Na]+ 454.13497 200.3
[M-H]- 430.13847 198.3
[M+NH4]+ 449.17957 202.3
[M+K]+ 470.10891 200.9
[M+H-H2O]+ 414.14301 184.8
[M+HCOO]- 476.14395 217.8
[M+CH3COO]- 490.15960 227.1
[M+Na-2H]- 452.12042 193.5
[M]+ 431.14520 203.1
[M]- 431.14630 203.1
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.