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 204.5
[M+Na]+ 437.15122 212.2
[M-H]- 413.15472 220.4
[M+NH4]+ 432.19582 215.4
[M+K]+ 453.12516 204.3
[M+H-H2O]+ 397.15926 193.0
[M+HCOO]- 459.16020 227.8
[M+CH3COO]- 473.17585 214.7
[M+Na-2H]- 435.13667 203.8
[M]+ 414.16145 205.2
[M]- 414.16255 205.2
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.