CID 90964

2-ethoxy-1,2-bis(4-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C18H20O4
SMILES
CCOC(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H20O4/c1-4-22-18(14-7-11-16(21-3)12-8-14)17(19)13-5-9-15(20-2)10-6-13/h5-12,18H,4H2,1-3H3
InChIKey
XGDJUIWMIKCXJN-UHFFFAOYSA-N
Compound name
2-ethoxy-1,2-bis(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.13617 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.7
[M+Na]+ 323.12539 183.1
[M+NH4]+ 318.16999 176.9
[M+K]+ 339.09933 176.4
[M-H]- 299.12889 173.2
[M+Na-2H]- 321.11084 177.4
[M]+ 300.13562 172.6
[M]- 300.13672 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe