CID 5469422

(1e,6e)-1,7-diphenylhepta-1,6-diene-3,5-dione

Structural Information

Molecular Formula
C19H16O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H16O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-14H,15H2/b13-11+,14-12+
InChIKey
UXLWOYFDJVFCBR-PHEQNACWSA-N
Compound name
(1E,6E)-1,7-diphenylhepta-1,6-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

276.11502 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12230 165.9
[M+Na]+ 299.10424 171.0
[M-H]- 275.10774 171.6
[M+NH4]+ 294.14884 181.0
[M+K]+ 315.07818 165.5
[M+H-H2O]+ 259.11228 157.8
[M+HCOO]- 321.11322 187.8
[M+CH3COO]- 335.12887 198.2
[M+Na-2H]- 297.08969 168.7
[M]+ 276.11447 165.2
[M]- 276.11557 165.2
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.