CID 11719701

Schembl2444030

Structural Information

Molecular Formula
C29H24O6
SMILES
C1C(OC2=C(C(=C(C(=C2C1=O)O)CC3=CC=CC=C3O)O)CC4=CC=CC=C4O)C5=CC=CC=C5
InChI
InChI=1S/C29H24O6/c30-22-12-6-4-10-18(22)14-20-27(33)21(15-19-11-5-7-13-23(19)31)29-26(28(20)34)24(32)16-25(35-29)17-8-2-1-3-9-17/h1-13,25,30-31,33-34H,14-16H2
InChIKey
WBZSDBHJYZORRP-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

468.1573 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.16458 214.8
[M+Na]+ 491.14652 221.0
[M-H]- 467.15002 224.1
[M+NH4]+ 486.19112 219.1
[M+K]+ 507.12046 215.7
[M+H-H2O]+ 451.15456 203.4
[M+HCOO]- 513.15550 226.9
[M+CH3COO]- 527.17115 221.6
[M+Na-2H]- 489.13197 214.1
[M]+ 468.15675 213.7
[M]- 468.15785 213.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe