CID 5496077

184031-38-7

Structural Information

Molecular Formula
C29H34N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C)OC4=CC=CC=C4
InChI
InChI=1S/C29H34N3O8P/c1-20-18-32(28(35)30-26(20)33)25-16-15-23(38-25)19-37-41(36,40-22-13-9-6-10-14-22)31-24(27(34)39-29(2,3)4)17-21-11-7-5-8-12-21/h5-16,18,23-25H,17,19H2,1-4H3,(H,31,36)(H,30,33,35)/t23-,24-,25+,41?/m0/s1
InChIKey
WHJATGZAKVRVBM-YYAMGYDZSA-N
Compound name
tert-butyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.2084 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.21568 234.9
[M+Na]+ 606.19762 235.7
[M-H]- 582.20112 243.0
[M+NH4]+ 601.24222 233.6
[M+K]+ 622.17156 235.5
[M+H-H2O]+ 566.20566 220.9
[M+HCOO]- 628.20660 253.0
[M+CH3COO]- 642.22225 254.3
[M+Na-2H]- 604.18307 232.7
[M]+ 583.20785 239.2
[M]- 583.20895 239.2
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.