CID 11675691

4-amino-1-[[1-(diisopropoxyphosphorylmethoxymethyl)cyclopent-3-en-1-yl]methyl]pyrimidin-2-one

Structural Information

Molecular Formula
C18H30N3O5P
SMILES
CC(C)OP(=O)(COCC1(CC=CC1)CN2C=CC(=NC2=O)N)OC(C)C
InChI
InChI=1S/C18H30N3O5P/c1-14(2)25-27(23,26-15(3)4)13-24-12-18(8-5-6-9-18)11-21-10-7-16(19)20-17(21)22/h5-7,10,14-15H,8-9,11-13H2,1-4H3,(H2,19,20,22)
InChIKey
IFASEJAXRRUQQN-UHFFFAOYSA-N
Compound name
4-amino-1-[[1-[di(propan-2-yloxy)phosphorylmethoxymethyl]cyclopent-3-en-1-yl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.19232 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19960 193.0
[M+Na]+ 422.18154 197.0
[M-H]- 398.18504 195.1
[M+NH4]+ 417.22614 204.6
[M+K]+ 438.15548 196.3
[M+H-H2O]+ 382.18958 182.4
[M+HCOO]- 444.19052 215.9
[M+CH3COO]- 458.20617 223.5
[M+Na-2H]- 420.16699 191.0
[M]+ 399.19177 198.1
[M]- 399.19287 198.1
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.