CID 3790928

1,3-bis(4-methoxyphenyl)propan-2-one

Structural Information

Molecular Formula
C17H18O3
SMILES
COC1=CC=C(C=C1)CC(=O)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H18O3/c1-19-16-7-3-13(4-8-16)11-15(18)12-14-5-9-17(20-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey
CDAXBXJOPWBMAB-UHFFFAOYSA-N
Compound name
1,3-bis(4-methoxyphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

270.12558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 162.6
[M+Na]+ 293.11480 177.0
[M+NH4]+ 288.15940 170.7
[M+K]+ 309.08874 169.2
[M-H]- 269.11830 166.8
[M+Na-2H]- 291.10025 171.3
[M]+ 270.12503 165.9
[M]- 270.12613 165.9
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

patents stripe