CID 637162

2',4'-dihydroxy-4,6'-dimethoxydihydrochalcone

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)O)O
InChI
InChI=1S/C17H18O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-4,6-7,9-10,18,20H,5,8H2,1-2H3
InChIKey
SGAQUVXWXIVPKX-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

302.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.122696 167.9
[M+Na]+ 325.104638 175.5
[M-H]- 301.108144 172.5
[M+NH4]+ 320.149243 181.8
[M+K]+ 341.078578 172.4
[M+H-H2O]+ 285.112680 160.4
[M+HCOO]- 347.113621 188.4
[M+CH3COO]- 361.129271 201.3
[M+Na-2H]- 323.090086 169.5
[M]+ 302.11487142 171.8
[M]- 302.11596858 171.8
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