CID 7010346

2-allyl-4,6-dibenzoylresorcinol

Structural Information

Molecular Formula
C23H18O4
SMILES
C=CCC1=C(C(=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C23H18O4/c1-2-9-17-22(26)18(20(24)15-10-5-3-6-11-15)14-19(23(17)27)21(25)16-12-7-4-8-13-16/h2-8,10-14,26-27H,1,9H2
InChIKey
FSYGSBMXRNPJAD-UHFFFAOYSA-N
Compound name
(5-benzoyl-2,4-dihydroxy-3-prop-2-enylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

358.1205 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12778 186.0
[M+Na]+ 381.10972 201.0
[M+NH4]+ 376.15432 192.3
[M+K]+ 397.08366 193.5
[M-H]- 357.11322 190.9
[M+Na-2H]- 379.09517 194.7
[M]+ 358.11995 189.5
[M]- 358.12105 189.5
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

patents stripe