CID 5271245

98736-92-6

Structural Information

Molecular Formula
C26H26N2O6
SMILES
CCC1=CN(C(=O)NC1=O)C2CC(C(C2)OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H26N2O6/c1-2-17-15-28(26(32)27-23(17)29)21-13-20(16-33-24(30)18-9-5-3-6-10-18)22(14-21)34-25(31)19-11-7-4-8-12-19/h3-12,15,20-22H,2,13-14,16H2,1H3,(H,27,29,32)
InChIKey
GNAULXPMFJHTOX-UHFFFAOYSA-N
Compound name
[2-benzoyloxy-4-(5-ethyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.17908 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18636 208.9
[M+Na]+ 485.16830 213.7
[M-H]- 461.17180 217.7
[M+NH4]+ 480.21290 214.3
[M+K]+ 501.14224 208.7
[M+H-H2O]+ 445.17634 197.3
[M+HCOO]- 507.17728 224.9
[M+CH3COO]- 521.19293 229.7
[M+Na-2H]- 483.15375 204.8
[M]+ 462.17853 209.8
[M]- 462.17963 209.8
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.