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

3
Patents

300.13617 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.143446 169.8
[M+Na]+ 323.125388 175.9
[M-H]- 299.128894 176.3
[M+NH4]+ 318.169993 184.6
[M+K]+ 339.099328 174.0
[M+H-H2O]+ 283.133430 161.5
[M+HCOO]- 345.134371 191.9
[M+CH3COO]- 359.150021 205.3
[M+Na-2H]- 321.110836 171.9
[M]+ 300.13562142 174.8
[M]- 300.13671858 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