CID 5169036

4-(benzyloxy)-3,5-dimethoxyacetophenone

Structural Information

Molecular Formula
C17H18O4
SMILES
CC(=O)C1=CC(=C(C(=C1)OC)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C17H18O4/c1-12(18)14-9-15(19-2)17(16(10-14)20-3)21-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKey
VVNNLIIHXUFTIW-UHFFFAOYSA-N
Compound name
1-(3,5-dimethoxy-4-phenylmethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.127776 164.6
[M+Na]+ 309.109718 172.4
[M-H]- 285.113224 171.6
[M+NH4]+ 304.154323 180.4
[M+K]+ 325.083658 170.2
[M+H-H2O]+ 269.117760 156.6
[M+HCOO]- 331.118701 188.0
[M+CH3COO]- 345.134351 202.7
[M+Na-2H]- 307.095166 167.8
[M]+ 286.11995142 170.3
[M]- 286.12104858 170.3
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

No patent data available for this compound.