CID 511214

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

Structural Information

Molecular Formula
C15H20N3O10P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O
InChI
InChI=1S/C15H20N3O10P/c1-8-6-18(15(24)16-13(8)21)11-4-2-9(28-11)7-27-29(25,26)17-10(14(22)23)3-5-12(19)20/h2,4,6,9-11H,3,5,7H2,1H3,(H,19,20)(H,22,23)(H,16,21,24)(H2,17,25,26)/t9-,10-,11+/m0/s1
InChIKey
GYZLRKXBIKWQNB-GARJFASQSA-N
Compound name
(2S)-2-[[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.08862 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09590 189.5
[M+Na]+ 456.07784 192.5
[M-H]- 432.08134 188.4
[M+NH4]+ 451.12244 193.2
[M+K]+ 472.05178 193.2
[M+H-H2O]+ 416.08588 179.3
[M+HCOO]- 478.08682 207.1
[M+CH3COO]- 492.10247 221.2
[M+Na-2H]- 454.06329 186.8
[M]+ 433.08807 192.1
[M]- 433.08917 192.1
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.