CID 4131859

2-benzylidene-6-[(4-methylphenyl)methylidene]cyclohexan-1-one

Structural Information

Molecular Formula
C21H20O
SMILES
CC1=CC=C(C=C1)C=C2CCCC(=CC3=CC=CC=C3)C2=O
InChI
InChI=1S/C21H20O/c1-16-10-12-18(13-11-16)15-20-9-5-8-19(21(20)22)14-17-6-3-2-4-7-17/h2-4,6-7,10-15H,5,8-9H2,1H3
InChIKey
XDIRNKKHCXQCNK-UHFFFAOYSA-N
Compound name
2-benzylidene-6-[(4-methylphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15143 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.158706 169.3
[M+Na]+ 311.140648 174.9
[M-H]- 287.144154 178.1
[M+NH4]+ 306.185253 184.4
[M+K]+ 327.114588 168.1
[M+H-H2O]+ 271.148690 160.5
[M+HCOO]- 333.149631 189.1
[M+CH3COO]- 347.165281 201.8
[M+Na-2H]- 309.126096 170.8
[M]+ 288.15088142 164.0
[M]- 288.15197858 164.0
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.