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

5560
Patents

256.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.117226 157.5
[M+Na]+ 279.099168 165.8
[M-H]- 255.102674 163.3
[M+NH4]+ 274.143773 174.1
[M+K]+ 295.073108 161.8
[M+H-H2O]+ 239.107210 150.2
[M+HCOO]- 301.108151 180.6
[M+CH3COO]- 315.123801 193.6
[M+Na-2H]- 277.084616 161.9
[M]+ 256.10940142 160.1
[M]- 256.11049858 160.1
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