CID 97742

Cyclohexanone, 2,6-bis((4-methoxyphenyl)methylene)-

Structural Information

Molecular Formula
C22H22O3
SMILES
COC1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(C=C3)OC)C2=O
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
InChIKey
ZYMUNTZVOUBQAI-UHFFFAOYSA-N
Compound name
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]+ 335.16418 180.4
[M+Na]+ 357.14612 186.2
[M-H]- 333.14962 189.4
[M+NH4]+ 352.19072 193.7
[M+K]+ 373.12006 180.6
[M+H-H2O]+ 317.15416 171.0
[M+HCOO]- 379.15510 200.2
[M+CH3COO]- 393.17075 210.1
[M+Na-2H]- 355.13157 180.7
[M]+ 334.15635 178.7
[M]- 334.15745 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

literature stripe

Patent stripe

patents stripe