CID 4216602

Cyclopentanone, 2,5-bis[(2-methoxyphenyl)methylene]-

Structural Information

Molecular Formula
C21H20O3
SMILES
COC1=CC=CC=C1C=C2CCC(=CC3=CC=CC=C3OC)C2=O
InChI
InChI=1S/C21H20O3/c1-23-19-9-5-3-7-15(19)13-17-11-12-18(21(17)22)14-16-8-4-6-10-20(16)24-2/h3-10,13-14H,11-12H2,1-2H3
InChIKey
IOYDQEKSUHPMDT-UHFFFAOYSA-N
Compound name
2,5-bis[(2-methoxyphenyl)methylidene]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.14124 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14852 178.1
[M+Na]+ 343.13046 192.0
[M+NH4]+ 338.17506 185.9
[M+K]+ 359.10440 184.9
[M-H]- 319.13396 183.5
[M+Na-2H]- 341.11591 185.9
[M]+ 320.14069 181.6
[M]- 320.14179 181.6
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.