CID 6474295

Pinocembrin chalcone

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
InChIKey
LOYXTWZXLWHMBX-VOTSOKGWSA-N
Compound name
(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

133
Patents

256.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 157.4
[M+Na]+ 279.06277 170.5
[M+NH4]+ 274.10737 163.9
[M+K]+ 295.03671 164.8
[M-H]- 255.06627 159.4
[M+Na-2H]- 277.04822 164.0
[M]+ 256.07300 159.7
[M]- 256.07410 159.7
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