CID 464192

Me-.beta-alanh

Structural Information

Molecular Formula
C20H24N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NCCC(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C20H24N3O8P/c1-14-12-23(20(26)22-19(14)25)17-9-8-16(30-17)13-29-32(27,21-11-10-18(24)28-2)31-15-6-4-3-5-7-15/h3-9,12,16-17H,10-11,13H2,1-2H3,(H,21,27)(H,22,25,26)/t16-,17+,32?/m0/s1
InChIKey
HHZBYFQCOAJGEB-KZQCBURKSA-N
Compound name
methyl 3-[[[(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

4
References

0
Patents

465.1301 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.13738 203.1
[M+Na]+ 488.11932 207.4
[M-H]- 464.12282 208.7
[M+NH4]+ 483.16392 207.5
[M+K]+ 504.09326 206.8
[M+H-H2O]+ 448.12736 190.4
[M+HCOO]- 510.12830 226.1
[M+CH3COO]- 524.14395 231.4
[M+Na-2H]- 486.10477 202.3
[M]+ 465.12955 208.9
[M]- 465.13065 208.9
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.