CID 6474334

Schembl9569582

Structural Information

Molecular Formula
C9H14N3O5P
SMILES
C1=CN(C(=O)N=C1N)CC(CO)/C=C/P(=O)(O)O
InChI
InChI=1S/C9H14N3O5P/c10-8-1-3-12(9(14)11-8)5-7(6-13)2-4-18(15,16)17/h1-4,7,13H,5-6H2,(H2,10,11,14)(H2,15,16,17)/b4-2+
InChIKey
WNUNPPZAYFTQFU-DUXPYHPUSA-N
Compound name
[(E)-3-[(4-amino-2-oxopyrimidin-1-yl)methyl]-4-hydroxybut-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

275.0671 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07438 161.4
[M+Na]+ 298.05632 168.0
[M-H]- 274.05982 157.0
[M+NH4]+ 293.10092 172.6
[M+K]+ 314.03026 164.9
[M+H-H2O]+ 258.06436 152.1
[M+HCOO]- 320.06530 183.1
[M+CH3COO]- 334.08095 192.0
[M+Na-2H]- 296.04177 162.0
[M]+ 275.06655 160.4
[M]- 275.06765 160.4
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.