CID 454897

Ghl.pd_mitscher_leg0.618

Structural Information

Molecular Formula
C22H18O4
SMILES
C1C2C(C3=CC=CC=C3O1)OC4=CC(=C(C=C24)O)OCC5=CC=CC=C5
InChI
InChI=1S/C22H18O4/c23-18-10-16-17-13-25-19-9-5-4-8-15(19)22(17)26-20(16)11-21(18)24-12-14-6-2-1-3-7-14/h1-11,17,22-23H,12-13H2
InChIKey
XXLNJJRSTRINLL-UHFFFAOYSA-N
Compound name
9-phenylmethoxy-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

346.1205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12778 177.5
[M+Na]+ 369.10972 185.5
[M-H]- 345.11322 186.8
[M+NH4]+ 364.15432 191.8
[M+K]+ 385.08366 182.3
[M+H-H2O]+ 329.11776 169.6
[M+HCOO]- 391.11870 193.4
[M+CH3COO]- 405.13435 188.5
[M+Na-2H]- 367.09517 183.0
[M]+ 346.11995 179.8
[M]- 346.12105 179.8
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.