CID 3076160

1,3-di(3-dimethoxyphosphorylpropyl)uracil

Structural Information

Molecular Formula
C14H26N2O8P2
SMILES
COP(=O)(CCCN1C=CC(=O)N(C1=O)CCCP(=O)(OC)OC)OC
InChI
InChI=1S/C14H26N2O8P2/c1-21-25(19,22-2)11-5-8-15-10-7-13(17)16(14(15)18)9-6-12-26(20,23-3)24-4/h7,10H,5-6,8-9,11-12H2,1-4H3
InChIKey
QRDGEDZXKXJOHJ-UHFFFAOYSA-N
Compound name
1,3-bis(3-dimethoxyphosphorylpropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.11642 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12370 190.9
[M+Na]+ 435.10564 197.4
[M-H]- 411.10914 189.6
[M+NH4]+ 430.15024 193.7
[M+K]+ 451.07958 198.0
[M+H-H2O]+ 395.11368 178.0
[M+HCOO]- 457.11462 213.9
[M+CH3COO]- 471.13027 223.6
[M+Na-2H]- 433.09109 192.0
[M]+ 412.11587 204.1
[M]- 412.11697 204.1
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.