CID 92012758

(e)-arachidin ii

Structural Information

Molecular Formula
C19H20O3
SMILES
CC(=CCC1=C(C=C(C=C1O)/C=C\C2=CC=C(C=C2)O)O)C
InChI
InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4-
InChIKey
WWFOQQIWOKJBSJ-PLNGDYQASA-N
Compound name
5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

26
Patents

296.14124 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 170.8
[M+Na]+ 319.13046 177.9
[M-H]- 295.13396 173.8
[M+NH4]+ 314.17506 184.5
[M+K]+ 335.10440 171.5
[M+H-H2O]+ 279.13850 163.9
[M+HCOO]- 341.13944 188.9
[M+CH3COO]- 355.15509 198.5
[M+Na-2H]- 317.11591 170.7
[M]+ 296.14069 169.8
[M]- 296.14179 169.8
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