CID 42607706

4,2',6'-trihydroxy-4'-methoxy-3'-methyldihydrochalcone

Structural Information

Molecular Formula
C17H18O5
SMILES
CC1=C(C=C(C(=C1O)C(=O)CCC2=CC=C(C=C2)O)O)OC
InChI
InChI=1S/C17H18O5/c1-10-15(22-2)9-14(20)16(17(10)21)13(19)8-5-11-3-6-12(18)7-4-11/h3-4,6-7,9,18,20-21H,5,8H2,1-2H3
InChIKey
SRVYQQAVHYJVJI-UHFFFAOYSA-N
Compound name
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 168.0
[M+Na]+ 325.10464 176.0
[M-H]- 301.10814 171.6
[M+NH4]+ 320.14924 181.5
[M+K]+ 341.07858 172.2
[M+H-H2O]+ 285.11268 161.0
[M+HCOO]- 347.11362 186.9
[M+CH3COO]- 361.12927 200.4
[M+Na-2H]- 323.09009 168.5
[M]+ 302.11487 170.5
[M]- 302.11597 170.5
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