CID 6483316

Isodispar b

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(C)CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)O
InChI
InChI=1S/C20H18O5/c1-11(2)8-14(21)19-16(23)10-15(22)18-13(9-17(24)25-20(18)19)12-6-4-3-5-7-12/h3-7,9-11,22-23H,8H2,1-2H3
InChIKey
GKEWZBRIASMMCY-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

338.11542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 177.4
[M+Na]+ 361.10464 185.9
[M-H]- 337.10814 183.9
[M+NH4]+ 356.14924 189.4
[M+K]+ 377.07858 182.8
[M+H-H2O]+ 321.11268 169.5
[M+HCOO]- 383.11362 194.7
[M+CH3COO]- 397.12927 210.1
[M+Na-2H]- 359.09009 179.4
[M]+ 338.11487 180.8
[M]- 338.11597 180.8
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.