CID 390106

Nsc687097

Structural Information

Molecular Formula
C25H24O5
SMILES
CC1(C2C(C3=C(O1)C=C(C=C3)OCC4=CC=CC=C4)OC5=CC(=C(C=C25)O)OC)C
InChI
InChI=1S/C25H24O5/c1-25(2)23-18-12-19(26)22(27-3)13-20(18)29-24(23)17-10-9-16(11-21(17)30-25)28-14-15-7-5-4-6-8-15/h4-13,23-24,26H,14H2,1-3H3
InChIKey
ZEIFSGAEXXNFSB-UHFFFAOYSA-N
Compound name
9-methoxy-6,6-dimethyl-3-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]+ 405.169656 197.0
[M+Na]+ 427.151598 206.3
[M-H]- 403.155104 206.8
[M+NH4]+ 422.196203 211.4
[M+K]+ 443.125538 203.5
[M+H-H2O]+ 387.159640 188.5
[M+HCOO]- 449.160581 211.7
[M+CH3COO]- 463.176231 207.4
[M+Na-2H]- 425.137046 200.7
[M]+ 404.16183142 202.9
[M]- 404.16292858 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.