CID 5961410

Derricidin

Structural Information

Molecular Formula
C20H20O3
SMILES
CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O)C
InChI
InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+
InChIKey
DGUGLZYULGVSIZ-DHZHZOJOSA-N
Compound name
(E)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

53
Patents

308.14124 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 174.9
[M+Na]+ 331.13046 187.9
[M+NH4]+ 326.17506 181.5
[M+K]+ 347.10440 180.3
[M-H]- 307.13396 177.8
[M+Na-2H]- 329.11591 181.7
[M]+ 308.14069 177.5
[M]- 308.14179 177.5
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