CID 5281727

Pterostilbene

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC

InChI

InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+

InChIKey

VLEUZFDZJKSGMX-ONEGZZNKSA-N

Compound name

4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 673
References: 6247
Patents: 256.10995 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.11723	157.5
[M+Na]+	279.09917	165.8
[M-H]-	255.10267	163.3
[M+NH4]+	274.14377	174.1
[M+K]+	295.07311	161.8
[M+H-H2O]+	239.10721	150.2
[M+HCOO]-	301.10815	180.6
[M+CH3COO]-	315.12380	193.6
[M+Na-2H]-	277.08462	161.9
[M]+	256.10940	160.1
[M]-	256.11050	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe