CID 10362270

2',6'-dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone

Structural Information

Molecular Formula
C23H22O5
SMILES
COC1=C(C(=C(C(=C1)O)C(=O)CCC2=CC=CC=C2)O)CC3=CC=CC=C3O
InChI
InChI=1S/C23H22O5/c1-28-21-14-20(26)22(19(25)12-11-15-7-3-2-4-8-15)23(27)17(21)13-16-9-5-6-10-18(16)24/h2-10,14,24,26-27H,11-13H2,1H3
InChIKey
JTSWCJCEJKEHGN-UHFFFAOYSA-N
Compound name
1-[2,6-dihydroxy-3-[(2-hydroxyphenyl)methyl]-4-methoxyphenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

patents stripe