CID 44257864

Ciliatin a

Structural Information

Molecular Formula
C20H16O5
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H16O5/c1-10(2)15-7-13-17(24-15)9-18-19(20(13)23)14(22)8-16(25-18)11-3-5-12(21)6-4-11/h3-6,8-9,15,21,23H,1,7H2,2H3
InChIKey
OEXDXBQIIVHRPG-UHFFFAOYSA-N
Compound name
4-hydroxy-7-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09976 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 176.2
[M+Na]+ 359.08898 186.3
[M-H]- 335.09248 184.8
[M+NH4]+ 354.13358 190.1
[M+K]+ 375.06292 183.2
[M+H-H2O]+ 319.09702 170.0
[M+HCOO]- 381.09796 192.6
[M+CH3COO]- 395.11361 188.0
[M+Na-2H]- 357.07443 178.7
[M]+ 336.09921 179.5
[M]- 336.10031 179.5
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.