CID 131753177

3'-hydroxy-3,4,5,4'-tetramethoxystilbene

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C=C(C=C1)/C=C/C2=CC(=C(C(=C2)O)OC)CO)O
InChI
InChI=1S/C17H18O5/c1-21-16-6-5-11(8-14(16)19)3-4-12-7-13(10-18)17(22-2)15(20)9-12/h3-9,18-20H,10H2,1-2H3/b4-3+
InChIKey
DLSNLGWOPCTNJJ-ONEGZZNKSA-N
Compound name
5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-3-(hydroxymethyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

302.11542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 168.4
[M+Na]+ 325.10464 176.8
[M-H]- 301.10814 172.0
[M+NH4]+ 320.14924 182.0
[M+K]+ 341.07858 172.4
[M+H-H2O]+ 285.11268 161.3
[M+HCOO]- 347.11362 188.4
[M+CH3COO]- 361.12927 198.8
[M+Na-2H]- 323.09009 170.0
[M]+ 302.11487 171.4
[M]- 302.11597 171.4
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