CID 511207

[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phenyl hydrogen phosphate

Structural Information

Molecular Formula
C16H17N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)OC3=CC=CC=C3
InChI
InChI=1S/C16H17N2O7P/c1-11-9-18(16(20)17-15(11)19)14-8-7-13(24-14)10-23-26(21,22)25-12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,21,22)(H,17,19,20)/t13-,14+/m0/s1
InChIKey
XSACFYGYAQUDLE-UONOGXRCSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl phenyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.07733 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.08461 182.3
[M+Na]+ 403.06655 189.5
[M-H]- 379.07005 187.2
[M+NH4]+ 398.11115 190.3
[M+K]+ 419.04049 187.8
[M+H-H2O]+ 363.07459 170.9
[M+HCOO]- 425.07553 204.9
[M+CH3COO]- 439.09118 210.2
[M+Na-2H]- 401.05200 182.8
[M]+ 380.07678 185.9
[M]- 380.07788 185.9
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.