CID 6475718

Mls000697642

Structural Information

Molecular Formula
C19H20O6
SMILES
COCOC1=CC(=C(C(=C1)OCOC)C(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C19H20O6/c1-22-12-24-15-10-17(21)19(18(11-15)25-13-23-2)16(20)9-8-14-6-4-3-5-7-14/h3-11,21H,12-13H2,1-2H3/b9-8+
InChIKey
YINAAZRIIMRSGH-CMDGGOBGSA-N
Compound name
(E)-1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

344.12598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 178.8
[M+Na]+ 367.11520 185.1
[M-H]- 343.11870 184.0
[M+NH4]+ 362.15980 191.1
[M+K]+ 383.08914 182.4
[M+H-H2O]+ 327.12324 170.1
[M+HCOO]- 389.12418 200.5
[M+CH3COO]- 403.13983 209.0
[M+Na-2H]- 365.10065 180.6
[M]+ 344.12543 185.3
[M]- 344.12653 185.3
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

No patent data available for this compound.