CID 5386531

(e)-4-(3,4,5-trimethoxystyryl)phenol

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C17H18O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11,18H,1-3H3/b5-4+
InChIKey
PGNACKMMQGBVTN-SNAWJCMRSA-N
Compound name
4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

39
Patents

286.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.127776 164.8
[M+Na]+ 309.109718 173.4
[M-H]- 285.113224 170.8
[M+NH4]+ 304.154323 180.4
[M+K]+ 325.083658 169.9
[M+H-H2O]+ 269.117760 157.2
[M+HCOO]- 331.118701 187.7
[M+CH3COO]- 345.134351 199.9
[M+Na-2H]- 307.095166 168.0
[M]+ 286.11995142 169.6
[M]- 286.12104858 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