CID 12305191

5,7-dihydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCOC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C
InChI
InChI=1S/C20H20O5/c1-12(2)7-8-24-15-5-3-13(4-6-15)18-11-17(23)20-16(22)9-14(21)10-19(20)25-18/h3-7,9-10,18,21-22H,8,11H2,1-2H3
InChIKey
GYSDUVRPSWKYDJ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

302
Patents

340.13107 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.2
[M+Na]+ 363.12029 186.2
[M-H]- 339.12379 184.9
[M+NH4]+ 358.16489 191.2
[M+K]+ 379.09423 182.8
[M+H-H2O]+ 323.12833 171.4
[M+HCOO]- 385.12927 194.7
[M+CH3COO]- 399.14492 209.2
[M+Na-2H]- 361.10574 180.7
[M]+ 340.13052 180.3
[M]- 340.13162 180.3
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