CID 1680

Nsc692936

Structural Information

Molecular Formula
C21H22O4
SMILES
CC(=CCC1=CC2=C(C=C1OC)OCC3C2OC4=C3C=CC(=C4)O)C
InChI
InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3
InChIKey
FZFGGNNUYSILSL-UHFFFAOYSA-N
Compound name
3-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 339.15908 180.6
[M+Na]+ 361.14102 188.7
[M-H]- 337.14452 186.8
[M+NH4]+ 356.18562 196.2
[M+K]+ 377.11496 185.8
[M+H-H2O]+ 321.14906 174.3
[M+HCOO]- 383.15000 194.6
[M+CH3COO]- 397.16565 191.3
[M+Na-2H]- 359.12647 183.0
[M]+ 338.15125 184.3
[M]- 338.15235 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.