CID 454888

Ghl.pd_mitscher_leg0.633

Structural Information

Molecular Formula
C23H26O5
SMILES
COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)OCC5CCCCC5)O
InChI
InChI=1S/C23H26O5/c1-25-15-7-8-16-20(9-15)27-13-18-17-10-19(24)22(11-21(17)28-23(16)18)26-12-14-5-3-2-4-6-14/h7-11,14,18,23-24H,2-6,12-13H2,1H3
InChIKey
BZFZBVCGXBWVOR-UHFFFAOYSA-N
Compound name
9-(cyclohexylmethoxy)-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.178 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18528 187.8
[M+Na]+ 405.16722 192.9
[M-H]- 381.17072 196.0
[M+NH4]+ 400.21182 200.6
[M+K]+ 421.14116 190.6
[M+H-H2O]+ 365.17526 179.8
[M+HCOO]- 427.17620 199.0
[M+CH3COO]- 441.19185 196.8
[M+Na-2H]- 403.15267 189.5
[M]+ 382.17745 188.0
[M]- 382.17855 188.0
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.