CID 5273523

Dehydrofurodendin

Structural Information

Molecular Formula
C22H28O3
SMILES
C/C(=C\CCC1=COC=C1)/CC/C=C(\C)/C/C=C/C2=CCC(=O)OC2
InChI
InChI=1S/C22H28O3/c1-18(8-4-10-20-12-13-22(23)25-17-20)6-3-7-19(2)9-5-11-21-14-15-24-16-21/h4,6,9-10,12,14-16H,3,5,7-8,11,13,17H2,1-2H3/b10-4+,18-6+,19-9+
InChIKey
QJSPUICDETZEEZ-VYZVFJPZSA-N
Compound name
3-[(1E,4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-1,4,8-trienyl]-2,5-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.20386 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.21114 189.5
[M+Na]+ 363.19308 192.4
[M-H]- 339.19658 195.6
[M+NH4]+ 358.23768 201.7
[M+K]+ 379.16702 189.2
[M+H-H2O]+ 323.20112 182.1
[M+HCOO]- 385.20206 206.6
[M+CH3COO]- 399.21771 210.6
[M+Na-2H]- 361.17853 187.3
[M]+ 340.20331 190.9
[M]- 340.20441 190.9
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

No patent data available for this compound.