CID 511209

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

Structural Information

Molecular Formula
C22H21N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C22H21N2O7P/c1-16-14-24(22(26)23-21(16)25)20-13-12-19(29-20)15-28-32(27,30-17-8-4-2-5-9-17)31-18-10-6-3-7-11-18/h2-14,19-20H,15H2,1H3,(H,23,25,26)/t19-,20+/m0/s1
InChIKey
SKOPMBCWHJQPPT-VQTJNVASSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.10864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.11592 202.7
[M+Na]+ 479.09786 208.4
[M-H]- 455.10136 211.4
[M+NH4]+ 474.14246 207.2
[M+K]+ 495.07180 206.3
[M+H-H2O]+ 439.10590 188.9
[M+HCOO]- 501.10684 225.5
[M+CH3COO]- 515.12249 226.4
[M+Na-2H]- 477.08331 202.2
[M]+ 456.10809 206.7
[M]- 456.10919 206.7
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.