CID 390107

Nsc687098

Structural Information

Molecular Formula
C25H24O5
SMILES
CC1(C2C(C3=C(O1)C=C(C=C3)OC)OC4=CC(=C(C=C24)O)OCC5=CC=CC=C5)C
InChI
InChI=1S/C25H24O5/c1-25(2)23-18-12-19(26)22(28-14-15-7-5-4-6-8-15)13-20(18)29-24(23)17-10-9-16(27-3)11-21(17)30-25/h4-13,23-24,26H,14H2,1-3H3
InChIKey
OLCYSYCCASQXIZ-UHFFFAOYSA-N
Compound name
3-methoxy-6,6-dimethyl-9-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

404.16238 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 197.0
[M+Na]+ 427.15160 206.3
[M-H]- 403.15510 206.8
[M+NH4]+ 422.19620 211.4
[M+K]+ 443.12554 203.5
[M+H-H2O]+ 387.15964 188.5
[M+HCOO]- 449.16058 211.7
[M+CH3COO]- 463.17623 207.4
[M+Na-2H]- 425.13705 200.7
[M]+ 404.16183 202.9
[M]- 404.16293 202.9
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.