CID 390108

Nsc687099

Structural Information

Molecular Formula
C20H22O5
SMILES
CC1=C2C3C(C4=C(C=C(C=C4)OC)OC3(C)C)OC2=CC(=C1O)OC
InChI
InChI=1S/C20H22O5/c1-10-16-14(9-15(23-5)18(10)21)24-19-12-7-6-11(22-4)8-13(12)25-20(2,3)17(16)19/h6-9,17,19,21H,1-5H3
InChIKey
SJIAOALVZOOOCV-UHFFFAOYSA-N
Compound name
3,9-dimethoxy-6,6,7-trimethyl-6a,11a-dihydro-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14673 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 179.0
[M+Na]+ 365.13595 190.2
[M-H]- 341.13945 186.4
[M+NH4]+ 360.18055 197.2
[M+K]+ 381.10989 188.6
[M+H-H2O]+ 325.14399 173.3
[M+HCOO]- 387.14493 194.2
[M+CH3COO]- 401.16058 191.3
[M+Na-2H]- 363.12140 183.4
[M]+ 342.14618 186.6
[M]- 342.14728 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.