CID 5744450

6-(4-methoxycinnamoyl)-2-(4-methoxyphenyl)chromone

Structural Information

Molecular Formula
C26H20O5
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OC(=CC3=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H20O5/c1-29-20-9-3-17(4-10-20)5-13-23(27)19-8-14-25-22(15-19)24(28)16-26(31-25)18-6-11-21(30-2)12-7-18/h3-16H,1-2H3/b13-5+
InChIKey
KTYKSWONSPXZEL-WLRTZDKTSA-N
Compound name
2-(4-methoxyphenyl)-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13107 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.13835 200.0
[M+Na]+ 435.12029 208.4
[M-H]- 411.12379 211.5
[M+NH4]+ 430.16489 209.5
[M+K]+ 451.09423 204.3
[M+H-H2O]+ 395.12833 188.9
[M+HCOO]- 457.12927 220.3
[M+CH3COO]- 471.14492 226.3
[M+Na-2H]- 433.10574 202.7
[M]+ 412.13052 205.5
[M]- 412.13162 205.5
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.