CID 5481513

Cf-951

Structural Information

Molecular Formula
C21H26N3O8P
SMILES
CCOC(=O)[C@H](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/C21H26N3O8P/c1-4-29-20(26)15(3)23-33(28,32-16-8-6-5-7-9-16)30-13-17-10-11-18(31-17)24-12-14(2)19(25)22-21(24)27/h5-12,15,17-18H,4,13H2,1-3H3,(H,23,28)(H,22,25,27)/t15-,17-,18+,33?/m0/s1
InChIKey
BVEPBUNOHOWLPF-TZDHYOIISA-N
Compound name
ethyl (2S)-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

3
References

0
Patents

479.14575 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.15303 207.2
[M+Na]+ 502.13497 210.7
[M-H]- 478.13847 212.8
[M+NH4]+ 497.17957 210.9
[M+K]+ 518.10891 210.6
[M+H-H2O]+ 462.14301 194.6
[M+HCOO]- 524.14395 228.9
[M+CH3COO]- 538.15960 235.1
[M+Na-2H]- 500.12042 205.0
[M]+ 479.14520 212.8
[M]- 479.14630 212.8
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.