CID 11574876

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

Structural Information

Molecular Formula
C18H29N2O6P
SMILES
CC(C)OP(=O)(COCC1(CC=CC1)CN2C=CC(=O)NC2=O)OC(C)C
InChI
InChI=1S/C18H29N2O6P/c1-14(2)25-27(23,26-15(3)4)13-24-12-18(8-5-6-9-18)11-20-10-7-16(21)19-17(20)22/h5-7,10,14-15H,8-9,11-13H2,1-4H3,(H,19,21,22)
InChIKey
MERVIXSOXNJMCR-UHFFFAOYSA-N
Compound name
1-[[1-[di(propan-2-yloxy)phosphorylmethoxymethyl]cyclopent-3-en-1-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.17633 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18361 191.3
[M+Na]+ 423.16555 195.9
[M-H]- 399.16905 192.6
[M+NH4]+ 418.21015 202.7
[M+K]+ 439.13949 194.7
[M+H-H2O]+ 383.17359 181.3
[M+HCOO]- 445.17453 212.6
[M+CH3COO]- 459.19018 217.9
[M+Na-2H]- 421.15100 189.5
[M]+ 400.17578 197.0
[M]- 400.17688 197.0
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.