CID 7010346

Methanone, 1,1'-[4,6-dihydroxy-5-(2-propen-1-yl)-1,3-phenylene]bis[1-phenyl-

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

33
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 184.5
[M+Na]+ 381.10972 191.0
[M-H]- 357.11322 191.8
[M+NH4]+ 376.15432 195.1
[M+K]+ 397.08366 184.9
[M+H-H2O]+ 341.11776 175.5
[M+HCOO]- 403.11870 203.3
[M+CH3COO]- 417.13435 212.7
[M+Na-2H]- 379.09517 184.2
[M]+ 358.11995 184.2
[M]- 358.12105 184.2
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

patents stripe