CID 11704338

1-[[1-(diisopropoxyphosphorylmethoxymethyl)cyclopent-3-en-1-yl]methyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H31N2O6P
SMILES
CC1=CN(C(=O)NC1=O)CC2(CC=CC2)COCP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C19H31N2O6P/c1-14(2)26-28(24,27-15(3)4)13-25-12-19(8-6-7-9-19)11-21-10-16(5)17(22)20-18(21)23/h6-7,10,14-15H,8-9,11-13H2,1-5H3,(H,20,22,23)
InChIKey
SEIMHICFJZPEOX-UHFFFAOYSA-N
Compound name
1-[[1-[di(propan-2-yloxy)phosphorylmethoxymethyl]cyclopent-3-en-1-yl]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.192 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19928 194.9
[M+Na]+ 437.18122 200.0
[M-H]- 413.18472 196.4
[M+NH4]+ 432.22582 206.0
[M+K]+ 453.15516 198.7
[M+H-H2O]+ 397.18926 185.1
[M+HCOO]- 459.19020 215.9
[M+CH3COO]- 473.20585 222.2
[M+Na-2H]- 435.16667 192.2
[M]+ 414.19145 201.4
[M]- 414.19255 201.4
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.