CID 390105

Nsc687096

Structural Information

Molecular Formula
C31H28O5
SMILES
CC1(C2C(C3=C(O1)C=C(C=C3)OCC4=CC=CC=C4)OC5=CC(=C(C=C25)O)OCC6=CC=CC=C6)C
InChI
InChI=1S/C31H28O5/c1-31(2)29-24-16-25(32)28(34-19-21-11-7-4-8-12-21)17-26(24)35-30(29)23-14-13-22(15-27(23)36-31)33-18-20-9-5-3-6-10-20/h3-17,29-30,32H,18-19H2,1-2H3
InChIKey
FBECEDWLMUFDCL-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3,9-bis(phenylmethoxy)-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

480.19366 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20094 218.6
[M+Na]+ 503.18288 226.2
[M-H]- 479.18638 230.7
[M+NH4]+ 498.22748 228.9
[M+K]+ 519.15682 222.4
[M+H-H2O]+ 463.19092 207.4
[M+HCOO]- 525.19186 232.1
[M+CH3COO]- 539.20751 226.9
[M+Na-2H]- 501.16833 220.4
[M]+ 480.19311 223.2
[M]- 480.19421 223.2
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.