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
2
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 169.8
[M+Na]+ 323.12539 175.9
[M-H]- 299.12889 176.3
[M+NH4]+ 318.16999 184.6
[M+K]+ 339.09933 174.0
[M+H-H2O]+ 283.13343 161.5
[M+HCOO]- 345.13437 191.9
[M+CH3COO]- 359.15002 205.3
[M+Na-2H]- 321.11084 171.9
[M]+ 300.13562 174.8
[M]- 300.13672 174.8
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