CID 14028796

152165-67-8

Structural Information

Molecular Formula
C26H20O5
SMILES
CCCCOC1=CC=C(C=C1)C2=C3C=C4C(=C(C(=O)O4)C5=CC=CC=C5)C=C3OC2=O
InChI
InChI=1S/C26H20O5/c1-2-3-13-29-18-11-9-17(10-12-18)24-20-15-21-19(14-22(20)31-26(24)28)23(25(27)30-21)16-7-5-4-6-8-16/h4-12,14-15H,2-3,13H2,1H3
InChIKey
OZIVGRCTLVMJJN-UHFFFAOYSA-N
Compound name
3-(4-butoxyphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13107 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.13835 198.4
[M+Na]+ 435.12029 208.9
[M-H]- 411.12379 212.7
[M+NH4]+ 430.16489 211.8
[M+K]+ 451.09423 205.5
[M+H-H2O]+ 395.12833 191.2
[M+HCOO]- 457.12927 220.0
[M+CH3COO]- 471.14492 210.4
[M+Na-2H]- 433.10574 199.1
[M]+ 412.13052 207.0
[M]- 412.13162 207.0
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.