CID 392464

Chembl5274636

Structural Information

Molecular Formula
C21H22O4
SMILES
CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)OC)C
InChI
InChI=1S/C21H22O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,17,21-22H,6,11H2,1-3H3
InChIKey
ZFUZIYGRFSXEIQ-UHFFFAOYSA-N
Compound name
9-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

338.1518 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.159076 180.6
[M+Na]+ 361.141018 188.7
[M-H]- 337.144524 186.8
[M+NH4]+ 356.185623 196.2
[M+K]+ 377.114958 185.8
[M+H-H2O]+ 321.149060 174.3
[M+HCOO]- 383.150001 194.6
[M+CH3COO]- 397.165651 191.3
[M+Na-2H]- 359.126466 183.0
[M]+ 338.15125142 184.3
[M]- 338.15234858 184.3
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

No patent data available for this compound.