CID 44243661

4-hydroxy-3,5,4'-trimethoxystilbene

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C17H18O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h4-11,18H,1-3H3/b5-4+
InChIKey
KRJGXNAUJLJILU-SNAWJCMRSA-N
Compound name
2,6-dimethoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

286.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 164.8
[M+Na]+ 309.10972 173.4
[M-H]- 285.11322 170.8
[M+NH4]+ 304.15432 180.4
[M+K]+ 325.08366 169.9
[M+H-H2O]+ 269.11776 157.2
[M+HCOO]- 331.11870 187.7
[M+CH3COO]- 345.13435 199.9
[M+Na-2H]- 307.09517 168.0
[M]+ 286.11995 169.6
[M]- 286.12105 169.6
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