CID 5459193

Nsc641521

Structural Information

Molecular Formula
C19H20O6
SMILES
CC1=CC(=C(C=C1C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC)O)OC
InChI
InChI=1S/C19H20O6/c1-11-7-16(23-2)15(21)10-13(11)14(20)6-5-12-8-17(24-3)19(22)18(9-12)25-4/h5-10,21-22H,1-4H3/b6-5+
InChIKey
IYFJRILZYVZKHH-AATRIKPKSA-N
Compound name
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(5-hydroxy-4-methoxy-2-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 177.6
[M+Na]+ 367.11520 186.2
[M-H]- 343.11870 182.6
[M+NH4]+ 362.15980 190.2
[M+K]+ 383.08914 183.1
[M+H-H2O]+ 327.12324 170.0
[M+HCOO]- 389.12418 197.7
[M+CH3COO]- 403.13983 210.8
[M+Na-2H]- 365.10065 177.0
[M]+ 344.12543 183.7
[M]- 344.12653 183.7
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.