CID 511219

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

Structural Information

Molecular Formula
C12H16N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NCC(=O)O)O
InChI
InChI=1S/C12H16N3O8P/c1-7-5-15(12(19)14-11(7)18)9-3-2-8(23-9)6-22-24(20,21)13-4-10(16)17/h2-3,5,8-9H,4,6H2,1H3,(H,16,17)(H2,13,20,21)(H,14,18,19)/t8-,9+/m0/s1
InChIKey
BFEODQHZNNJTSK-DTWKUNHWSA-N
Compound name
2-[[hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0675 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07478 174.9
[M+Na]+ 384.05672 180.9
[M-H]- 360.06022 175.3
[M+NH4]+ 379.10132 182.8
[M+K]+ 400.03066 180.2
[M+H-H2O]+ 344.06476 164.8
[M+HCOO]- 406.06570 196.5
[M+CH3COO]- 420.08135 208.0
[M+Na-2H]- 382.04217 175.1
[M]+ 361.06695 177.4
[M]- 361.06805 177.4
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.