CID 1550698

Cyclohexanone, 2,6-bis(p-methoxybenzylidene)-

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
2
Annotation Hits

3
References

3
Patents

334.1569 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.164176 180.4
[M+Na]+ 357.146118 186.2
[M-H]- 333.149624 189.4
[M+NH4]+ 352.190723 193.7
[M+K]+ 373.120058 180.6
[M+H-H2O]+ 317.154160 171.0
[M+HCOO]- 379.155101 200.2
[M+CH3COO]- 393.170751 210.1
[M+Na-2H]- 355.131566 180.7
[M]+ 334.15635142 178.7
[M]- 334.15744858 178.7
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.