CID 511231

4-[[hydroxy-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]butanoic acid

Structural Information

Molecular Formula
C14H20N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NCCCC(=O)O)O
InChI
InChI=1S/C14H20N3O8P/c1-9-7-17(14(21)16-13(9)20)11-5-4-10(25-11)8-24-26(22,23)15-6-2-3-12(18)19/h4-5,7,10-11H,2-3,6,8H2,1H3,(H,18,19)(H2,15,22,23)(H,16,20,21)/t10-,11+/m0/s1
InChIKey
DYLWDELUTPEZCU-WDEREUQCSA-N
Compound name
4-[[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.09882 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10610 183.9
[M+Na]+ 412.08804 189.0
[M-H]- 388.09154 184.0
[M+NH4]+ 407.13264 190.7
[M+K]+ 428.06198 188.0
[M+H-H2O]+ 372.09608 173.5
[M+HCOO]- 434.09702 204.8
[M+CH3COO]- 448.11267 213.9
[M+Na-2H]- 410.07349 183.1
[M]+ 389.09827 187.1
[M]- 389.09937 187.1
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.