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

literature stripe

Patent stripe

patents stripe