CID 5466799

Nsc643131

Structural Information

Molecular Formula
C21H16O2
SMILES
C1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)O)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H16O2/c22-19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(23)18-9-5-2-6-10-18/h1-15,22H/b20-15+
InChIKey
RZBABEFHJKXEBA-HMMYKYKNSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-1,2-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.11502 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 171.2
[M+Na]+ 323.10424 176.4
[M-H]- 299.10774 179.0
[M+NH4]+ 318.14884 184.4
[M+K]+ 339.07818 170.4
[M+H-H2O]+ 283.11228 162.3
[M+HCOO]- 345.11322 191.7
[M+CH3COO]- 359.12887 201.2
[M+Na-2H]- 321.08969 174.3
[M]+ 300.11447 168.5
[M]- 300.11557 168.5
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.