CID 5317593

Gingerenone c

Structural Information

Molecular Formula
C20H22O4
SMILES
COC1=C(C=CC(=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C20H22O4/c1-24-20-14-16(9-13-19(20)23)8-12-17(21)5-3-2-4-15-6-10-18(22)11-7-15/h3,5-7,9-11,13-14,22-23H,2,4,8,12H2,1H3/b5-3+
InChIKey
JYHZFCAVESZNKO-HWKANZROSA-N
Compound name
(E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

22
Patents

326.1518 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 178.2
[M+Na]+ 349.14102 184.1
[M-H]- 325.14452 181.9
[M+NH4]+ 344.18562 190.8
[M+K]+ 365.11496 178.9
[M+H-H2O]+ 309.14906 170.2
[M+HCOO]- 371.15000 197.7
[M+CH3COO]- 385.16565 205.3
[M+Na-2H]- 347.12647 178.8
[M]+ 326.15125 180.4
[M]- 326.15235 180.4
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