CID 14028792

79694-17-0

Structural Information

Molecular Formula
C25H18O5
SMILES
CCCOC1=CC=C(C=C1)C2=C3C=C4C(=C(C(=O)O4)C5=CC=CC=C5)C=C3OC2=O
InChI
InChI=1S/C25H18O5/c1-2-12-28-17-10-8-16(9-11-17)23-19-14-20-18(13-21(19)30-25(23)27)22(24(26)29-20)15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3
InChIKey
ITMNEINISUYYJO-UHFFFAOYSA-N
Compound name
7-phenyl-3-(4-propoxyphenyl)furo[2,3-f][1]benzofuran-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

398.11542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12270 193.6
[M+Na]+ 421.10464 204.7
[M-H]- 397.10814 208.2
[M+NH4]+ 416.14924 207.7
[M+K]+ 437.07858 201.4
[M+H-H2O]+ 381.11268 186.7
[M+HCOO]- 443.11362 215.7
[M+CH3COO]- 457.12927 206.1
[M+Na-2H]- 419.09009 194.9
[M]+ 398.11487 202.0
[M]- 398.11597 202.0
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

patents stripe