CID 497293

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

Structural Information

Molecular Formula
C26H29N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O[C@H](C)C3=CC=CC=C3)O[C@H](C)C4=CC=CC=C4
InChI
InChI=1S/C26H29N2O7P/c1-18-16-28(26(30)27-25(18)29)24-15-14-23(33-24)17-32-36(31,34-19(2)21-10-6-4-7-11-21)35-20(3)22-12-8-5-9-13-22/h4-16,19-20,23-24H,17H2,1-3H3,(H,27,29,30)/t19-,20-,23+,24-/m1/s1
InChIKey
LABJZTSTCKIHQB-MYSJAJEPSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl bis[(1R)-1-phenylethyl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

512.17126 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.17854 219.0
[M+Na]+ 535.16048 222.2
[M-H]- 511.16398 227.3
[M+NH4]+ 530.20508 221.0
[M+K]+ 551.13442 220.7
[M+H-H2O]+ 495.16852 205.0
[M+HCOO]- 557.16946 238.5
[M+CH3COO]- 571.18511 239.5
[M+Na-2H]- 533.14593 214.8
[M]+ 512.17071 223.2
[M]- 512.17181 223.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.