CID 6474900

Chembl340202

Structural Information

Molecular Formula
C24H18O4
SMILES
C1=CC(=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)O)C(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C24H18O4/c25-21-10-4-17(5-11-21)8-14-23(27)19-2-1-3-20(16-19)24(28)15-9-18-6-12-22(26)13-7-18/h1-16,25-26H/b14-8+,15-9+
InChIKey
OETARLPOXIOAFP-VOMDNODZSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-1-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

370.1205 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12778 188.8
[M+Na]+ 393.10972 194.4
[M-H]- 369.11322 195.6
[M+NH4]+ 388.15432 198.7
[M+K]+ 409.08366 187.4
[M+H-H2O]+ 353.11776 179.5
[M+HCOO]- 415.11870 207.5
[M+CH3COO]- 429.13435 212.4
[M+Na-2H]- 391.09517 188.6
[M]+ 370.11995 187.5
[M]- 370.12105 187.5
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

No patent data available for this compound.