CID 12310898

Isoderricin a

Structural Information

Molecular Formula
C21H22O3
SMILES
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=CC=C3)OC)C
InChI
InChI=1S/C21H22O3/c1-14(2)9-10-17-19(23-3)12-11-16-18(22)13-20(24-21(16)17)15-7-5-4-6-8-15/h4-9,11-12,20H,10,13H2,1-3H3
InChIKey
VQBWFYNSXWMURP-UHFFFAOYSA-N
Compound name
7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1569 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16418 177.3
[M+Na]+ 345.14612 184.2
[M-H]- 321.14962 185.2
[M+NH4]+ 340.19072 191.3
[M+K]+ 361.12006 180.6
[M+H-H2O]+ 305.15416 168.9
[M+HCOO]- 367.15510 195.2
[M+CH3COO]- 381.17075 210.9
[M+Na-2H]- 343.13157 179.5
[M]+ 322.15635 178.9
[M]- 322.15745 178.9
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

No patent data available for this compound.