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]+ 287.12778 164.6
[M+Na]+ 309.10972 172.4
[M-H]- 285.11322 171.6
[M+NH4]+ 304.15432 180.4
[M+K]+ 325.08366 170.2
[M+H-H2O]+ 269.11776 156.6
[M+HCOO]- 331.11870 188.0
[M+CH3COO]- 345.13435 202.7
[M+Na-2H]- 307.09517 167.8
[M]+ 286.11995 170.3
[M]- 286.12105 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.