CID 452549

3'-ac-5'-diprpo4t

Structural Information

Molecular Formula
C18H29N2O9P
SMILES
CCCOP(=O)(OCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC(=O)C
InChI
InChI=1S/C18H29N2O9P/c1-5-7-25-30(24,26-8-6-2)27-11-15-14(28-13(4)21)9-16(29-15)20-10-12(3)17(22)19-18(20)23/h10,14-16H,5-9,11H2,1-4H3,(H,19,22,23)/t14-,15+,16+/m0/s1
InChIKey
DFSHWFQUDZZFDL-ARFHVFGLSA-N
Compound name
[(2R,3S,5R)-2-(dipropoxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16107 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.16835 198.6
[M+Na]+ 471.15029 203.7
[M-H]- 447.15379 200.8
[M+NH4]+ 466.19489 205.0
[M+K]+ 487.12423 204.3
[M+H-H2O]+ 431.15833 188.0
[M+HCOO]- 493.15927 219.0
[M+CH3COO]- 507.17492 227.8
[M+Na-2H]- 469.13574 195.5
[M]+ 448.16052 208.2
[M]- 448.16162 208.2
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.