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]+ 319.09648 175.3
[M+Na]+ 341.07842 183.0
[M-H]- 317.08192 187.0
[M+NH4]+ 336.12302 189.8
[M+K]+ 357.05236 180.4
[M+H-H2O]+ 301.08646 168.7
[M+HCOO]- 363.08740 199.7
[M+CH3COO]- 377.10305 202.6
[M+Na-2H]- 339.06387 176.4
[M]+ 318.08865 180.0
[M]- 318.08975 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.