CID 3076161

130366-46-0

Structural Information

Molecular Formula
C15H28N2O8P2
SMILES
CC1=CC(=O)N(C(=O)N1CCCP(=O)(OC)OC)CCCP(=O)(OC)OC
InChI
InChI=1S/C15H28N2O8P2/c1-13-12-14(18)17(9-7-11-27(21,24-4)25-5)15(19)16(13)8-6-10-26(20,22-2)23-3/h12H,6-11H2,1-5H3
InChIKey
PACHKEDACMOCOI-UHFFFAOYSA-N
Compound name
1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.13208 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13936 194.8
[M+Na]+ 449.12130 201.8
[M-H]- 425.12480 193.8
[M+NH4]+ 444.16590 199.4
[M+K]+ 465.09524 202.3
[M+H-H2O]+ 409.12934 182.1
[M+HCOO]- 471.13028 219.2
[M+CH3COO]- 485.14593 227.9
[M+Na-2H]- 447.10675 195.0
[M]+ 426.13153 208.9
[M]- 426.13263 208.9
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.