CID 474448

Methyl 5-[[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]pentanoate

Structural Information

Molecular Formula
C22H28N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NCCCCC(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C22H28N3O8P/c1-16-14-25(22(28)24-21(16)27)19-12-11-18(32-19)15-31-34(29,33-17-8-4-3-5-9-17)23-13-7-6-10-20(26)30-2/h3-5,8-9,11-12,14,18-19H,6-7,10,13,15H2,1-2H3,(H,23,29)(H,24,27,28)/t18-,19+,34?/m0/s1
InChIKey
WKNZFIUNNIQBDC-ULPKJZBBSA-N
Compound name
methyl 5-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

493.1614 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.16868 212.0
[M+Na]+ 516.15062 215.3
[M-H]- 492.15412 217.2
[M+NH4]+ 511.19522 215.2
[M+K]+ 532.12456 214.4
[M+H-H2O]+ 476.15866 198.9
[M+HCOO]- 538.15960 234.3
[M+CH3COO]- 552.17525 237.1
[M+Na-2H]- 514.13607 210.3
[M]+ 493.16085 218.5
[M]- 493.16195 218.5
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.