CID 5935211

Nsc628297

Structural Information

Molecular Formula
C25H24O6
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O)OCC3=CC=CC=C3
InChI
InChI=1S/C25H24O6/c1-28-19-14-21(27)25(24(15-19)30-3)20(26)11-9-17-10-12-22(29-2)23(13-17)31-16-18-7-5-4-6-8-18/h4-15,27H,16H2,1-3H3/b11-9+
InChIKey
NXHJAZOWUGWKMU-PKNBQFBNSA-N
Compound name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

420.1573 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 201.0
[M+Na]+ 443.14652 207.3
[M-H]- 419.15002 209.4
[M+NH4]+ 438.19112 209.9
[M+K]+ 459.12046 203.5
[M+H-H2O]+ 403.15456 190.4
[M+HCOO]- 465.15550 221.6
[M+CH3COO]- 479.17115 225.5
[M+Na-2H]- 441.13197 200.5
[M]+ 420.15675 207.4
[M]- 420.15785 207.4
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