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]+ 391.169276 199.2
[M+Na]+ 413.151218 203.0
[M-H]- 389.154724 207.1
[M+NH4]+ 408.195823 209.1
[M+K]+ 429.125158 193.9
[M+H-H2O]+ 373.159260 188.7
[M+HCOO]- 435.160201 219.4
[M+CH3COO]- 449.175851 219.4
[M+Na-2H]- 411.136666 198.8
[M]+ 390.16145142 197.5
[M]- 390.16254858 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.