CID 3009932

Chembl275202

Structural Information

Molecular Formula
C11H19N2O7P
SMILES
CCOP(=O)(CC(C(C)O)OCN1C=CC(=O)NC1=O)O
InChI
InChI=1S/C11H19N2O7P/c1-3-20-21(17,18)6-9(8(2)14)19-7-13-5-4-10(15)12-11(13)16/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,17,18)(H,12,15,16)
InChIKey
VWOVZIYJQJUZNR-UHFFFAOYSA-N
Compound name
[2-[(2,4-dioxopyrimidin-1-yl)methoxy]-3-hydroxybutyl]-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.093 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10028 169.6
[M+Na]+ 345.08222 175.4
[M-H]- 321.08572 165.4
[M+NH4]+ 340.12682 179.2
[M+K]+ 361.05616 174.2
[M+H-H2O]+ 305.09026 160.0
[M+HCOO]- 367.09120 189.6
[M+CH3COO]- 381.10685 199.4
[M+Na-2H]- 343.06767 169.4
[M]+ 322.09245 173.5
[M]- 322.09355 173.5
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

No patent data available for this compound.