CID 16078862

Chembl223133

Structural Information

Molecular Formula
C10H15N2O5P
SMILES
CC1=CN(C(=O)NC1=O)C/C=C\CCP(=O)(O)O
InChI
InChI=1S/C10H15N2O5P/c1-8-7-12(10(14)11-9(8)13)5-3-2-4-6-18(15,16)17/h2-3,7H,4-6H2,1H3,(H,11,13,14)(H2,15,16,17)/b3-2-
InChIKey
OPTUJJWAHBAMIG-IHWYPQMZSA-N
Compound name
[(Z)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pent-3-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

274.07187 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07915 161.0
[M+Na]+ 297.06109 169.6
[M-H]- 273.06459 157.3
[M+NH4]+ 292.10569 173.3
[M+K]+ 313.03503 165.4
[M+H-H2O]+ 257.06913 152.1
[M+HCOO]- 319.07007 183.1
[M+CH3COO]- 333.08572 189.8
[M+Na-2H]- 295.04654 162.2
[M]+ 274.07132 162.6
[M]- 274.07242 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe