CID 253240

3-(4-methoxyphenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one

Structural Information

Molecular Formula
C30H22O2
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H22O2/c1-32-25-19-17-24(18-20-25)27-26(21-11-5-2-6-12-21)28(22-13-7-3-8-14-22)30(31)29(27)23-15-9-4-10-16-23/h2-20H,1H3
InChIKey
MRIYNLXCRJKRPA-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2,4,5-triphenylcyclopenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.162 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16928 206.2
[M+Na]+ 437.15122 226.3
[M+NH4]+ 432.19582 215.8
[M+K]+ 453.12516 215.5
[M-H]- 413.15472 218.3
[M+Na-2H]- 435.13667 221.2
[M]+ 414.16145 213.1
[M]- 414.16255 213.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.