CID 2898

Cyclofenil

Structural Information

Molecular Formula
C23H24O4
SMILES
CC(=O)OC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC(=O)C
InChI
InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
InChIKey
GVOUFPWUYJWQSK-UHFFFAOYSA-N
Compound name
[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

210
References

2543
Patents

364.16745 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17473 187.6
[M+Na]+ 387.15667 199.9
[M+NH4]+ 382.20127 194.4
[M+K]+ 403.13061 192.9
[M-H]- 363.16017 192.5
[M+Na-2H]- 385.14212 195.0
[M]+ 364.16690 190.6
[M]- 364.16800 190.6
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