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

38
Patents

276.11502 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.122296 165.9
[M+Na]+ 299.104238 171.0
[M-H]- 275.107744 171.6
[M+NH4]+ 294.148843 181.0
[M+K]+ 315.078178 165.5
[M+H-H2O]+ 259.112280 157.8
[M+HCOO]- 321.113221 187.8
[M+CH3COO]- 335.128871 198.2
[M+Na-2H]- 297.089686 168.7
[M]+ 276.11447142 165.2
[M]- 276.11556858 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

literature stripe

Patent stripe

patents stripe