CID 5468261

Nsc666764

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C17H16O5/c1-21-16-9-11(4-7-14(16)19)3-6-13(18)12-5-8-15(20)17(10-12)22-2/h3-10,19-20H,1-2H3/b6-3+
InChIKey
ZMQUJBYFGUNWFO-ZZXKWVIFSA-N
Compound name
(E)-1,3-bis(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

300.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.8
[M+Na]+ 323.08898 174.8
[M-H]- 299.09248 171.5
[M+NH4]+ 318.13358 180.8
[M+K]+ 339.06292 171.1
[M+H-H2O]+ 283.09702 159.5
[M+HCOO]- 345.09796 187.6
[M+CH3COO]- 359.11361 199.9
[M+Na-2H]- 321.07443 168.5
[M]+ 300.09921 169.9
[M]- 300.10031 169.9
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.