CID 493167

Dehydroconidrin diacetate

Structural Information

Molecular Formula
C24H20O8
SMILES
CC(=O)OC1=C(C=C(C=C1)C2=C3C=C(C(=CC3=CC4=C2COC4=O)OC)OC(=O)C)OC
InChI
InChI=1S/C24H20O8/c1-12(25)31-19-6-5-14(8-20(19)28-3)23-16-10-22(32-13(2)26)21(29-4)9-15(16)7-17-18(23)11-30-24(17)27/h5-10H,11H2,1-4H3
InChIKey
QLAWAXOOLKBLAO-UHFFFAOYSA-N
Compound name
[4-(6-acetyloxy-7-methoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl)-2-methoxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1158 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12308 199.3
[M+Na]+ 459.10502 208.0
[M-H]- 435.10852 209.4
[M+NH4]+ 454.14962 211.3
[M+K]+ 475.07896 207.5
[M+H-H2O]+ 419.11306 191.4
[M+HCOO]- 481.11400 217.6
[M+CH3COO]- 495.12965 231.8
[M+Na-2H]- 457.09047 199.0
[M]+ 436.11525 209.8
[M]- 436.11635 209.8
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.