CID 454859

D4t 5'(diprpo4)

Structural Information

Molecular Formula
C16H25N2O7P
SMILES
CCCOP(=O)(OCCC)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C16H25N2O7P/c1-4-8-22-26(21,23-9-5-2)24-11-13-6-7-14(25-13)18-10-12(3)15(19)17-16(18)20/h6-7,10,13-14H,4-5,8-9,11H2,1-3H3,(H,17,19,20)/t13-,14+/m0/s1
InChIKey
GAOCQDXSOXDCAW-UONOGXRCSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dipropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.13992 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14720 187.7
[M+Na]+ 411.12914 194.4
[M-H]- 387.13264 190.1
[M+NH4]+ 406.17374 196.8
[M+K]+ 427.10308 193.6
[M+H-H2O]+ 371.13718 177.0
[M+HCOO]- 433.13812 210.7
[M+CH3COO]- 447.15377 216.0
[M+Na-2H]- 409.11459 186.9
[M]+ 388.13937 196.1
[M]- 388.14047 196.1
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.