CID 480251

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

Structural Information

Molecular Formula
C22H28N3O8P
SMILES
CCCOC(=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/C22H28N3O8P/c1-4-12-30-21(27)16(3)24-34(29,33-17-8-6-5-7-9-17)31-14-18-10-11-19(32-18)25-13-15(2)20(26)23-22(25)28/h5-11,13,16,18-19H,4,12,14H2,1-3H3,(H,24,29)(H,23,26,28)/t16?,18-,19+,34?/m0/s1
InChIKey
ARNBBFYDHDUDRV-HUWIRUMTSA-N
Compound name
propyl 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

493.1614 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.16868 211.7
[M+Na]+ 516.15062 214.7
[M-H]- 492.15412 217.1
[M+NH4]+ 511.19522 214.8
[M+K]+ 532.12456 214.5
[M+H-H2O]+ 476.15866 198.9
[M+HCOO]- 538.15960 233.1
[M+CH3COO]- 552.17525 238.0
[M+Na-2H]- 514.13607 209.0
[M]+ 493.16085 217.6
[M]- 493.16195 217.6
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.