CID 452561

5'-diprpo4-3'-oett

Structural Information

Molecular Formula
C18H31N2O8P
SMILES
CCCOP(=O)(OCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OCC
InChI
InChI=1S/C18H31N2O8P/c1-5-8-25-29(23,26-9-6-2)27-12-15-14(24-7-3)10-16(28-15)20-11-13(4)17(21)19-18(20)22/h11,14-16H,5-10,12H2,1-4H3,(H,19,21,22)/t14-,15+,16+/m0/s1
InChIKey
APYDNNXEQSEVHZ-ARFHVFGLSA-N
Compound name
[(2R,3S,5R)-3-ethoxy-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

434.1818 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.18908 199.0
[M+Na]+ 457.17102 204.3
[M-H]- 433.17452 201.0
[M+NH4]+ 452.21562 206.3
[M+K]+ 473.14496 204.2
[M+H-H2O]+ 417.17906 188.2
[M+HCOO]- 479.18000 220.0
[M+CH3COO]- 493.19565 226.0
[M+Na-2H]- 455.15647 196.3
[M]+ 434.18125 208.6
[M]- 434.18235 208.6
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.