CID 6474701

Schembl6700338

Structural Information

Molecular Formula
C23H16O2
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)/C=C/C(=O)C4=CC(=CC=C4)O
InChI
InChI=1S/C23H16O2/c24-19-8-5-7-18(15-19)23(25)13-12-17-14-16-6-1-2-9-20(16)22-11-4-3-10-21(17)22/h1-15,24H/b13-12+
InChIKey
LQYRHTCEWUIMCW-OUKQBFOZSA-N
Compound name
(E)-1-(3-hydroxyphenyl)-3-phenanthren-9-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

324.11502 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.12230 176.4
[M+Na]+ 347.10424 185.1
[M-H]- 323.10774 183.7
[M+NH4]+ 342.14884 191.4
[M+K]+ 363.07818 177.5
[M+H-H2O]+ 307.11228 167.5
[M+HCOO]- 369.11322 196.5
[M+CH3COO]- 383.12887 187.3
[M+Na-2H]- 345.08969 182.8
[M]+ 324.11447 177.1
[M]- 324.11557 177.1
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