CID 5281775

Gingerenone a

Structural Information

Molecular Formula
C21H24O5
SMILES
COC1=C(C=CC(=C1)CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+
InChIKey
FWDXZNKYDTXGOT-GQCTYLIASA-N
Compound name
(E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

83
Patents

356.16238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 185.2
[M+Na]+ 379.15160 191.3
[M-H]- 355.15510 189.0
[M+NH4]+ 374.19620 196.7
[M+K]+ 395.12554 186.7
[M+H-H2O]+ 339.15964 176.9
[M+HCOO]- 401.16058 204.5
[M+CH3COO]- 415.17623 211.8
[M+Na-2H]- 377.13705 184.7
[M]+ 356.16183 189.6
[M]- 356.16293 189.6
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