CID 511216

L-alanine, n-[[[(2s,5r)-5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2h)-pyrimidinyl)-2,5-dihydro-2-furanyl]methoxy]hydroxyphosphinyl]-, methyl ester

Structural Information

Molecular Formula
C14H20N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)O
InChI
InChI=1S/C14H20N3O8P/c1-8-6-17(14(20)15-12(8)18)11-5-4-10(25-11)7-24-26(21,22)16-9(2)13(19)23-3/h4-6,9-11H,7H2,1-3H3,(H,15,18,20)(H2,16,21,22)/t9-,10-,11+/m0/s1
InChIKey
KRCNPUCVJZVHKZ-GARJFASQSA-N
Compound name
N-[(2S)-1-methoxy-1-oxopropan-2-yl]-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.09882 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10610 183.0
[M+Na]+ 412.08804 188.4
[M-H]- 388.09154 184.7
[M+NH4]+ 407.13264 190.5
[M+K]+ 428.06198 188.8
[M+H-H2O]+ 372.09608 172.7
[M+HCOO]- 434.09702 204.5
[M+CH3COO]- 448.11267 216.2
[M+Na-2H]- 410.07349 181.7
[M]+ 389.09827 187.4
[M]- 389.09937 187.4
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.