CID 1550698

2,6-bis(p-methoxybenzylidene)cyclohexanone

Structural Information

Molecular Formula
C22H22O3
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC=C(C=C3)OC)/CCC2
InChI
InChI=1S/C22H22O3/c1-24-20-10-6-16(7-11-20)14-18-4-3-5-19(22(18)23)15-17-8-12-21(25-2)13-9-17/h6-15H,3-5H2,1-2H3/b18-14-,19-15-
InChIKey
ZYMUNTZVOUBQAI-DJTQBEGKSA-N
Compound name
(2Z,6Z)-2,6-bis[(4-methoxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1569 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16418 181.7
[M+Na]+ 357.14612 196.5
[M+NH4]+ 352.19072 189.6
[M+K]+ 373.12006 187.1
[M-H]- 333.14962 187.9
[M+Na-2H]- 355.13157 190.3
[M]+ 334.15635 185.6
[M]- 334.15745 185.6
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.