CID 151670

Isouvaretin

Structural Information

Molecular Formula
C23H22O5
SMILES
COC1=C(C(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O)CC3=CC=CC=C3O
InChI
InChI=1S/C23H22O5/c1-28-23-17(13-16-9-5-6-10-18(16)24)20(26)14-21(27)22(23)19(25)12-11-15-7-3-2-4-8-15/h2-10,14,24,26-27H,11-13H2,1H3
InChIKey
WKYGVDYQMIWYES-UHFFFAOYSA-N
Compound name
1-[4,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-2-methoxyphenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

378.14673 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 190.2
[M+Na]+ 401.13595 196.5
[M-H]- 377.13945 196.3
[M+NH4]+ 396.18055 199.7
[M+K]+ 417.10989 191.3
[M+H-H2O]+ 361.14399 181.0
[M+HCOO]- 423.14493 208.2
[M+CH3COO]- 437.16058 214.4
[M+Na-2H]- 399.12140 189.9
[M]+ 378.14618 191.9
[M]- 378.14728 191.9
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