CID 42607707

4,2',6'-trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone

Structural Information

Molecular Formula
C18H20O5
SMILES
CC1=C(C(=C(C(=C1OC)C)O)C(=O)CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H20O5/c1-10-16(21)15(17(22)11(2)18(10)23-3)14(20)9-6-12-4-7-13(19)8-5-12/h4-5,7-8,19,21-22H,6,9H2,1-3H3
InChIKey
GFHICTQGQGHRRY-UHFFFAOYSA-N
Compound name
1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.13107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 172.1
[M+Na]+ 339.12029 180.5
[M-H]- 315.12379 175.9
[M+NH4]+ 334.16489 185.3
[M+K]+ 355.09423 176.7
[M+H-H2O]+ 299.12833 165.1
[M+HCOO]- 361.12927 190.6
[M+CH3COO]- 375.14492 204.7
[M+Na-2H]- 337.10574 171.3
[M]+ 316.13052 175.3
[M]- 316.13162 175.3
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