CID 5495862

Gs 8262

Structural Information

Molecular Formula
C15H25N4O6P
SMILES
CCCCOC(=O)[C@H](C)NP1(=O)CO[C@H](CO1)CN2C=CC(=NC2=O)N
InChI
InChI=1S/C15H25N4O6P/c1-3-4-7-23-14(20)11(2)18-26(22)10-24-12(9-25-26)8-19-6-5-13(16)17-15(19)21/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,22)(H2,16,17,21)/t11-,12-,26?/m0/s1
InChIKey
NMVJQUYWLLSKHY-RFFOEUAYSA-N
Compound name
butyl (2S)-2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2lambda5-dioxaphosphinan-2-yl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.15118 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15846 191.8
[M+Na]+ 411.14040 195.6
[M-H]- 387.14390 194.8
[M+NH4]+ 406.18500 198.9
[M+K]+ 427.11434 196.9
[M+H-H2O]+ 371.14844 179.7
[M+HCOO]- 433.14938 212.9
[M+CH3COO]- 447.16503 223.8
[M+Na-2H]- 409.12585 191.1
[M]+ 388.15063 194.2
[M]- 388.15173 194.2
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.