CID 466076

Termilignan

Structural Information

Molecular Formula
C19H20O3
SMILES
COC1=CC(=C(C=C1)CC(=C)C(=C)CC2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H20O3/c1-13(10-15-4-7-17(20)8-5-15)14(2)11-16-6-9-18(22-3)12-19(16)21/h4-9,12,20-21H,1-2,10-11H2,3H3
InChIKey
JFMRBOFPBJLBBF-UHFFFAOYSA-N
Compound name
2-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

296.14124 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 170.1
[M+Na]+ 319.13046 176.2
[M-H]- 295.13396 174.1
[M+NH4]+ 314.17506 183.9
[M+K]+ 335.10440 171.1
[M+H-H2O]+ 279.13850 162.8
[M+HCOO]- 341.13944 188.7
[M+CH3COO]- 355.15509 201.8
[M+Na-2H]- 317.11591 170.0
[M]+ 296.14069 170.0
[M]- 296.14179 170.0
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