CID 486784

2-[(5,6-dibenzyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C23H24N2O5
SMILES
CC(=O)OCCOCN1C(=C(C(=O)NC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H24N2O5/c1-17(26)30-13-12-29-16-25-21(15-19-10-6-3-7-11-19)20(22(27)24-23(25)28)14-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3,(H,24,27,28)
InChIKey
QSVTVDFXMKBZJB-UHFFFAOYSA-N
Compound name
2-[(5,6-dibenzyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.16852 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17580 197.7
[M+Na]+ 431.15774 204.4
[M-H]- 407.16124 203.2
[M+NH4]+ 426.20234 204.1
[M+K]+ 447.13168 198.7
[M+H-H2O]+ 391.16578 185.8
[M+HCOO]- 453.16672 216.2
[M+CH3COO]- 467.18237 221.0
[M+Na-2H]- 429.14319 199.0
[M]+ 408.16797 201.8
[M]- 408.16907 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.