CID 387385

4122-02-5

Structural Information

Molecular Formula
C24H18O4
SMILES
C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)C=CC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C24H18O4/c25-21-11-7-19(8-12-21)23(27)15-5-17-1-2-18(4-3-17)6-16-24(28)20-9-13-22(26)14-10-20/h1-16,25-26H
InChIKey
BHUYEFNOZGAZPA-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
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 190.0
[M+Na]+ 393.10972 204.4
[M+NH4]+ 388.15432 195.8
[M+K]+ 409.08366 196.4
[M-H]- 369.11322 194.4
[M+Na-2H]- 391.09517 198.4
[M]+ 370.11995 193.2
[M]- 370.12105 193.2
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