CID 480252

Butyl 2-[({[5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))(2-2,5-dihydrofuryl)]methoxy}phenoxycarbonyl)amino]propanoate

Structural Information

Molecular Formula
C23H30N3O8P
SMILES
CCCCOC(=O)C(C)NP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC3=CC=CC=C3
InChI
InChI=1S/C23H30N3O8P/c1-4-5-13-31-22(28)17(3)25-35(30,34-18-9-7-6-8-10-18)32-15-19-11-12-20(33-19)26-14-16(2)21(27)24-23(26)29/h6-12,14,17,19-20H,4-5,13,15H2,1-3H3,(H,25,30)(H,24,27,29)/t17?,19-,20+,35?/m0/s1
InChIKey
YDQBBEVGBOZATK-YGVLCEMHSA-N
Compound name
butyl 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

1
References

0
Patents

507.17706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.18434 216.1
[M+Na]+ 530.16628 218.7
[M-H]- 506.16978 221.3
[M+NH4]+ 525.21088 218.7
[M+K]+ 546.14022 218.3
[M+H-H2O]+ 490.17432 203.2
[M+HCOO]- 552.17526 237.2
[M+CH3COO]- 566.19091 240.9
[M+Na-2H]- 528.15173 213.0
[M]+ 507.17651 222.4
[M]- 507.17761 222.4
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.