CID 87596

18362-51-1

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H16O4/c1-20-14-7-3-12(4-8-14)16(18)11-17(19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3
InChIKey
GNMDORSUZRRMFS-UHFFFAOYSA-N
Compound name
1,3-bis(4-methoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

3053
Patents

284.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 163.7
[M+Na]+ 307.094078 170.5
[M-H]- 283.097584 170.5
[M+NH4]+ 302.138683 179.1
[M+K]+ 323.068018 168.2
[M+H-H2O]+ 267.102120 155.7
[M+HCOO]- 329.103061 186.3
[M+CH3COO]- 343.118711 201.6
[M+Na-2H]- 305.079526 166.4
[M]+ 284.10431142 167.7
[M]- 284.10540858 167.7
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