CID 442715

4-prenyldihydropinosylvin

Structural Information

Molecular Formula
C19H22O2
SMILES
CC(=CCC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)C
InChI
InChI=1S/C19H22O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-8,12-13,20-21H,9-11H2,1-2H3
InChIKey
WRBJIPNZGJUCOJ-UHFFFAOYSA-N
Compound name
2-(3-methylbut-2-enyl)-5-(2-phenylethyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

282.162 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16928 168.5
[M+Na]+ 305.15122 174.9
[M-H]- 281.15472 172.5
[M+NH4]+ 300.19582 183.3
[M+K]+ 321.12516 169.2
[M+H-H2O]+ 265.15926 161.3
[M+HCOO]- 327.16020 187.8
[M+CH3COO]- 341.17585 198.9
[M+Na-2H]- 303.13667 169.6
[M]+ 282.16145 168.3
[M]- 282.16255 168.3
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