CID 511223

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

Structural Information

Molecular Formula
C16H24N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](CC(C)C)C(=O)O)O
InChI
InChI=1S/C16H24N3O8P/c1-9(2)6-12(15(21)22)18-28(24,25)26-8-11-4-5-13(27-11)19-7-10(3)14(20)17-16(19)23/h4-5,7,9,11-13H,6,8H2,1-3H3,(H,21,22)(H,17,20,23)(H2,18,24,25)/t11-,12-,13+/m0/s1
InChIKey
MIXQWFQBBDDHTB-RWMBFGLXSA-N
Compound name
(2S)-2-[[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1301 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13738 192.3
[M+Na]+ 440.11932 196.0
[M-H]- 416.12282 192.4
[M+NH4]+ 435.16392 197.9
[M+K]+ 456.09326 196.0
[M+H-H2O]+ 400.12736 182.2
[M+HCOO]- 462.12830 210.7
[M+CH3COO]- 476.14395 221.8
[M+Na-2H]- 438.10477 188.6
[M]+ 417.12955 195.1
[M]- 417.13065 195.1
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.