CID 6021352

1,1'-terephthalylidenebis(4-phenyl-3-buten-2-one)

Structural Information

Molecular Formula
C28H22O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)/C=C/C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C28H22O2/c29-27(19-15-23-7-3-1-4-8-23)21-17-25-11-13-26(14-12-25)18-22-28(30)20-16-24-9-5-2-6-10-24/h1-22H/b19-15+,20-16+,21-17+,22-18+
InChIKey
AHEKEFUUCDXYPS-INFGCDKVSA-N
Compound name
(1E,4E)-1-[4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]phenyl]-5-phenylpenta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.162 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16928 199.2
[M+Na]+ 413.15122 203.0
[M-H]- 389.15472 207.1
[M+NH4]+ 408.19582 209.1
[M+K]+ 429.12516 193.9
[M+H-H2O]+ 373.15926 188.7
[M+HCOO]- 435.16020 219.4
[M+CH3COO]- 449.17585 219.4
[M+Na-2H]- 411.13667 198.8
[M]+ 390.16145 197.5
[M]- 390.16255 197.5
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.