CID 11858018

Chembl182529

Structural Information

Molecular Formula
C18H18O2
SMILES
C=CCC1=C(C(=CC=C1)C2=CC=CC(=C2O)CC=C)O
InChI
InChI=1S/C18H18O2/c1-3-7-13-9-5-11-15(17(13)19)16-12-6-10-14(8-4-2)18(16)20/h3-6,9-12,19-20H,1-2,7-8H2
InChIKey
OUQOELSQUKETGS-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3-prop-2-enylphenyl)-6-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

30
Patents

266.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 161.8
[M+Na]+ 289.11990 170.1
[M-H]- 265.12340 166.3
[M+NH4]+ 284.16450 177.5
[M+K]+ 305.09384 163.6
[M+H-H2O]+ 249.12794 155.0
[M+HCOO]- 311.12888 182.7
[M+CH3COO]- 325.14453 196.1
[M+Na-2H]- 287.10535 164.0
[M]+ 266.13013 161.7
[M]- 266.13123 161.7
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