CID 481043

Methyl (2s)-2-[({[5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methoxy}phenoxycarbonyl)amino]propanoate

Structural Information

Molecular Formula
C20H26N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C20H26N3O8P/c1-13-11-23(20(26)21-18(13)24)17-10-9-16(30-17)12-29-32(27,22-14(2)19(25)28-3)31-15-7-5-4-6-8-15/h4-8,11,14,16-17H,9-10,12H2,1-3H3,(H,22,27)(H,21,24,26)/t14-,16-,17+,32?/m0/s1
InChIKey
VQYNXFWVKPAEGW-VRWHETOPSA-N
Compound name
methyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

467.14575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.15303 203.1
[M+Na]+ 490.13497 206.1
[M-H]- 466.13847 208.4
[M+NH4]+ 485.17957 207.3
[M+K]+ 506.10891 206.4
[M+H-H2O]+ 450.14301 190.8
[M+HCOO]- 512.14395 223.8
[M+CH3COO]- 526.15960 232.7
[M+Na-2H]- 488.12042 200.6
[M]+ 467.14520 207.1
[M]- 467.14630 207.1
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.