CID 473406

Methyl 3-(1h-indol-3-yl)-2-[[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C28H29N4O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NC(CC3=CNC4=CC=CC=C43)C(=O)OC)OC5=CC=CC=C5
InChI
InChI=1S/C28H29N4O8P/c1-18-16-32(28(35)30-26(18)33)25-13-12-21(39-25)17-38-41(36,40-20-8-4-3-5-9-20)31-24(27(34)37-2)14-19-15-29-23-11-7-6-10-22(19)23/h3-13,15-16,21,24-25,29H,14,17H2,1-2H3,(H,31,36)(H,30,33,35)/t21-,24?,25+,41?/m0/s1
InChIKey
XJRYSASTVMHUIT-IZXKJDGMSA-N
Compound name
methyl 3-(1H-indol-3-yl)-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

580.1723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.17958 228.0
[M+Na]+ 603.16152 230.3
[M-H]- 579.16502 235.9
[M+NH4]+ 598.20612 227.5
[M+K]+ 619.13546 229.0
[M+H-H2O]+ 563.16956 214.9
[M+HCOO]- 625.17050 246.7
[M+CH3COO]- 639.18615 251.2
[M+Na-2H]- 601.14697 224.5
[M]+ 580.17175 232.4
[M]- 580.17285 232.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.