CID 42607735

151752-07-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.11542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 167.9
[M+Na]+ 325.10464 175.5
[M-H]- 301.10814 172.5
[M+NH4]+ 320.14924 181.8
[M+K]+ 341.07858 172.4
[M+H-H2O]+ 285.11268 160.4
[M+HCOO]- 347.11362 188.4
[M+CH3COO]- 361.12927 201.3
[M+Na-2H]- 323.09009 169.5
[M]+ 302.11487 171.8
[M]- 302.11597 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