CID 42607530

Chebi:85123

Structural Information

Molecular Formula
C22H24O4
SMILES
CC(=CCC1=CC(=C(C=C1OC)O)C(=O)/C=C/C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C22H24O4/c1-15(2)5-9-17-13-19(21(24)14-22(17)26-4)20(23)12-8-16-6-10-18(25-3)11-7-16/h5-8,10-14,24H,9H2,1-4H3/b12-8+
InChIKey
GCEGUTHXMYHGKF-XYOKQWHBSA-N
Compound name
(E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.16745 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 184.9
[M+Na]+ 375.15667 191.3
[M-H]- 351.16017 190.1
[M+NH4]+ 370.20127 197.4
[M+K]+ 391.13061 186.6
[M+H-H2O]+ 335.16471 176.8
[M+HCOO]- 397.16565 204.4
[M+CH3COO]- 411.18130 214.4
[M+Na-2H]- 373.14212 183.1
[M]+ 352.16690 188.7
[M]- 352.16800 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe