CID 6479094

4'-o-geranylnaringenin

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC/C(=C/COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)/C)C
InChI
InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)11-12-29-20-9-7-18(8-10-20)23-15-22(28)25-21(27)13-19(26)14-24(25)30-23/h5,7-11,13-14,23,26-27H,4,6,12,15H2,1-3H3/b17-11+
InChIKey
XHCAXPZUMUUNKN-GZTJUZNOSA-N
Compound name
2-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

408.19366 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20094 200.9
[M+Na]+ 431.18288 205.5
[M-H]- 407.18638 205.6
[M+NH4]+ 426.22748 209.8
[M+K]+ 447.15682 201.1
[M+H-H2O]+ 391.19092 192.3
[M+HCOO]- 453.19186 213.8
[M+CH3COO]- 467.20751 223.6
[M+Na-2H]- 429.16833 198.5
[M]+ 408.19311 202.2
[M]- 408.19421 202.2
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