CID 6123890

2-propen-1-one, 3-(4-hydroxy-3-methoxyphenyl)-1-phenyl-

Structural Information

Molecular Formula
C16H14O3
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C16H14O3/c1-19-16-11-12(8-10-15(16)18)7-9-14(17)13-5-3-2-4-6-13/h2-11,18H,1H3/b9-7+
InChIKey
SFDANOZEVFTUOG-VQHVLOKHSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

84
Patents

254.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 158.0
[M+Na]+ 277.08352 172.1
[M+NH4]+ 272.12812 165.6
[M+K]+ 293.05746 164.8
[M-H]- 253.08702 161.5
[M+Na-2H]- 275.06897 166.3
[M]+ 254.09375 161.0
[M]- 254.09485 161.0
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