CID 6080596

27242-80-4

Structural Information

Molecular Formula
C20H14O4
SMILES
C1=COC(=C1)C(=O)/C=C/C2=CC=C(C=C2)/C=C/C(=O)C3=CC=CO3
InChI
InChI=1S/C20H14O4/c21-17(19-3-1-13-23-19)11-9-15-5-7-16(8-6-15)10-12-18(22)20-4-2-14-24-20/h1-14H/b11-9+,12-10+
InChIKey
NZUQBRSPJPOUOM-WGDLNXRISA-N
Compound name
(E)-1-(furan-2-yl)-3-[4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.096476 175.3
[M+Na]+ 341.078418 183.0
[M-H]- 317.081924 187.0
[M+NH4]+ 336.123023 189.8
[M+K]+ 357.052358 180.4
[M+H-H2O]+ 301.086460 168.7
[M+HCOO]- 363.087401 199.7
[M+CH3COO]- 377.103051 202.6
[M+Na-2H]- 339.063866 176.4
[M]+ 318.08865142 180.0
[M]- 318.08974858 180.0
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.