CID 6084133

Alpha,alpha'-(1,4-phenylenedimethylidyne)bis(2'-hydroxyacetophenone)

Structural Information

Molecular Formula
C24H18O4
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3O)O
InChI
InChI=1S/C24H18O4/c25-21-7-3-1-5-19(21)23(27)15-13-17-9-11-18(12-10-17)14-16-24(28)20-6-2-4-8-22(20)26/h1-16,25-26H/b15-13+,16-14+
InChIKey
GSFRPUAGDBMSNQ-WXUKJITCSA-N
Compound name
(E)-1-(2-hydroxyphenyl)-3-[4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

370.1205 Da
Monoisotopic Mass

5.9
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

patents stripe