CID 3592139

25672-06-4

Structural Information

Molecular Formula
C25H24O
SMILES
CC1CC(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C1
InChI
InChI=1S/C25H24O/c1-20-18-23(16-8-14-21-10-4-2-5-11-21)25(26)24(19-20)17-9-15-22-12-6-3-7-13-22/h2-17,20H,18-19H2,1H3
InChIKey
ODJVUQDVQMIDCB-UHFFFAOYSA-N
Compound name
2,6-dicinnamylidene-4-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.1827 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18998 185.3
[M+Na]+ 363.17192 189.8
[M-H]- 339.17542 193.4
[M+NH4]+ 358.21652 198.2
[M+K]+ 379.14586 180.9
[M+H-H2O]+ 323.17996 175.7
[M+HCOO]- 385.18090 204.1
[M+CH3COO]- 399.19655 210.9
[M+Na-2H]- 361.15737 184.6
[M]+ 340.18215 179.8
[M]- 340.18325 179.8
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

patents stripe