CID 375618

Nsc655440

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=CC(=CC(=C1)C(=O)CC(=O)C2=CC(=CC(=C2)OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-22-14-5-12(6-15(9-14)23-2)18(20)11-19(21)13-7-16(24-3)10-17(8-13)25-4/h5-10H,11H2,1-4H3
InChIKey
IDUBITABPMAFNI-UHFFFAOYSA-N
Compound name
1,3-bis(3,5-dimethoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.12598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 177.2
[M+Na]+ 367.11520 184.5
[M-H]- 343.11870 184.3
[M+NH4]+ 362.15980 190.4
[M+K]+ 383.08914 183.4
[M+H-H2O]+ 327.12324 168.7
[M+HCOO]- 389.12418 199.4
[M+CH3COO]- 403.13983 214.3
[M+Na-2H]- 365.10065 177.7
[M]+ 344.12543 185.6
[M]- 344.12653 185.6
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