CID 474449

Methyl 6-[[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]hexanoate

Structural Information

Molecular Formula
C23H30N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NCCCCCC(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C23H30N3O8P/c1-17-15-26(23(29)25-22(17)28)20-13-12-19(33-20)16-32-35(30,34-18-9-5-3-6-10-18)24-14-8-4-7-11-21(27)31-2/h3,5-6,9-10,12-13,15,19-20H,4,7-8,11,14,16H2,1-2H3,(H,24,30)(H,25,28,29)/t19-,20+,35?/m0/s1
InChIKey
BPIKIESZNWMMPL-RIJMDMQVSA-N
Compound name
methyl 6-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

507.17706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.18434 216.4
[M+Na]+ 530.16628 219.3
[M-H]- 506.16978 221.4
[M+NH4]+ 525.21088 219.0
[M+K]+ 546.14022 218.2
[M+H-H2O]+ 490.17432 203.1
[M+HCOO]- 552.17526 238.4
[M+CH3COO]- 566.19091 240.0
[M+Na-2H]- 528.15173 214.2
[M]+ 507.17651 223.2
[M]- 507.17761 223.2
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.