CID 6483626

Benzyl (2s)-2-[[[(2r,4r)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-(1-naphthyloxy)phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C29H30N3O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OCC3=CC=CC=C3)OC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C29H30N3O9P/c1-19-15-32(29(35)30-27(19)33)25-17-37-26(40-25)18-39-42(36,41-24-14-8-12-22-11-6-7-13-23(22)24)31-20(2)28(34)38-16-21-9-4-3-5-10-21/h3-15,20,25-26H,16-18H2,1-2H3,(H,31,36)(H,30,33,35)/t20-,25+,26+,42?/m0/s1
InChIKey
FGCPXEIGQITAGX-FHSJVKDUSA-N
Compound name
benzyl (2S)-2-[[[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

595.17194 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.17922 234.8
[M+Na]+ 618.16116 236.0
[M-H]- 594.16466 244.1
[M+NH4]+ 613.20576 232.1
[M+K]+ 634.13510 236.9
[M+H-H2O]+ 578.16920 220.2
[M+HCOO]- 640.17014 251.5
[M+CH3COO]- 654.18579 257.5
[M+Na-2H]- 616.14661 232.4
[M]+ 595.17139 239.1
[M]- 595.17249 239.1
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.