CID 667639

Piceatannol

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O
InChI
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
InChIKey
CDRPUGZCRXZLFL-OWOJBTEDSA-N
Compound name
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

632
References

8752
Patents

244.07356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 154.2
[M+Na]+ 267.06278 167.6
[M+NH4]+ 262.10738 160.9
[M+K]+ 283.03672 161.9
[M-H]- 243.06628 156.2
[M+Na-2H]- 265.04823 160.6
[M]+ 244.07301 156.5
[M]- 244.07411 156.5
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