CID 3044750

1,3-bis(p-methoxyphenoxy)-2-propanone

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=CC=C(C=C1)OCC(=O)COC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H18O5/c1-19-14-3-7-16(8-4-14)21-11-13(18)12-22-17-9-5-15(20-2)6-10-17/h3-10H,11-12H2,1-2H3
InChIKey
GMFIBGKIWYLJPE-UHFFFAOYSA-N
Compound name
1,3-bis(4-methoxyphenoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 168.1
[M+Na]+ 325.10464 174.7
[M-H]- 301.10814 174.7
[M+NH4]+ 320.14924 182.7
[M+K]+ 341.07858 173.1
[M+H-H2O]+ 285.11268 159.5
[M+HCOO]- 347.11362 191.6
[M+CH3COO]- 361.12927 203.5
[M+Na-2H]- 323.09009 172.0
[M]+ 302.11487 174.8
[M]- 302.11597 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

literature stripe

Patent stripe

No patent data available for this compound.