CID 6475476

Chembl122340

Structural Information

Molecular Formula
C10H15N2O6P
SMILES
CC1=CN(C(=O)NC1=O)C/C=C\COCP(=O)(O)O
InChI
InChI=1S/C10H15N2O6P/c1-8-6-12(10(14)11-9(8)13)4-2-3-5-18-7-19(15,16)17/h2-3,6H,4-5,7H2,1H3,(H,11,13,14)(H2,15,16,17)/b3-2-
InChIKey
PIGDCOMDHQAHCY-IHWYPQMZSA-N
Compound name
[(Z)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoxy]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

290.06677 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07405 162.9
[M+Na]+ 313.05599 171.2
[M-H]- 289.05949 159.1
[M+NH4]+ 308.10059 174.4
[M+K]+ 329.02993 167.7
[M+H-H2O]+ 273.06403 153.7
[M+HCOO]- 335.06497 185.1
[M+CH3COO]- 349.08062 192.1
[M+Na-2H]- 311.04144 164.4
[M]+ 290.06622 165.8
[M]- 290.06732 165.8
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.