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

675
References

5452
Patents

256.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.