CID 3009931

Chembl14629

Structural Information

Molecular Formula
C12H21N2O7P
SMILES
CCOP(=O)(CC(C(C)O)OCN1C=C(C(=O)NC1=O)C)O
InChI
InChI=1S/C12H21N2O7P/c1-4-21-22(18,19)6-10(9(3)15)20-7-14-5-8(2)11(16)13-12(14)17/h5,9-10,15H,4,6-7H2,1-3H3,(H,18,19)(H,13,16,17)
InChIKey
INYICZBYGZKRTD-UHFFFAOYSA-N
Compound name
ethoxy-[3-hydroxy-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]butyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.10864 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11592 173.8
[M+Na]+ 359.09786 180.0
[M-H]- 335.10136 169.9
[M+NH4]+ 354.14246 183.2
[M+K]+ 375.07180 178.8
[M+H-H2O]+ 319.10590 164.3
[M+HCOO]- 381.10684 193.5
[M+CH3COO]- 395.12249 203.7
[M+Na-2H]- 357.08331 172.5
[M]+ 336.10809 178.5
[M]- 336.10919 178.5
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.