CID 270058

3791-76-2

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C17H18O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3
InChIKey
JAJFQMZJIQDRSX-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

286.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.1
[M+Na]+ 309.10972 172.4
[M-H]- 285.11322 170.7
[M+NH4]+ 304.15432 180.1
[M+K]+ 325.08366 169.3
[M+H-H2O]+ 269.11776 157.4
[M+HCOO]- 331.11870 186.9
[M+CH3COO]- 345.13435 200.2
[M+Na-2H]- 307.09517 167.8
[M]+ 286.11995 168.9
[M]- 286.12105 168.9
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