CID 156013417

Nostolactone 4

Structural Information

Molecular Formula
C25H20O6
SMILES
C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
InChI
InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
InChIKey
ALOKGBOHBCZWBY-UHFFFAOYSA-N
Compound name
3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.12598 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13326 200.2
[M+Na]+ 439.11520 208.3
[M-H]- 415.11870 209.6
[M+NH4]+ 434.15980 206.0
[M+K]+ 455.08914 203.2
[M+H-H2O]+ 399.12324 189.6
[M+HCOO]- 461.12418 217.1
[M+CH3COO]- 475.13983 209.0
[M+Na-2H]- 437.10065 201.0
[M]+ 416.12543 201.5
[M]- 416.12653 201.5
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

No patent data available for this compound.