CID 462261

So324

Structural Information

Molecular Formula
C20H24N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C20H24N3O8P/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/h4-11,14,16-17H,12H2,1-3H3,(H,22,27)(H,21,24,26)/t14-,16-,17+,32?/m0/s1
InChIKey
KSYQFBRGFAUSLN-VRWHETOPSA-N
Compound name
methyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

2
Patents

465.1301 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.13738 202.7
[M+Na]+ 488.11932 206.7
[M-H]- 464.12282 208.5
[M+NH4]+ 483.16392 207.0
[M+K]+ 504.09326 206.8
[M+H-H2O]+ 448.12736 190.3
[M+HCOO]- 510.12830 224.8
[M+CH3COO]- 524.14395 232.3
[M+Na-2H]- 486.10477 201.0
[M]+ 465.12955 208.0
[M]- 465.13065 208.0
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.