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
7
Annotation Hits

210
References

2586
Patents

364.16745 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.174726 187.9
[M+Na]+ 387.156668 190.3
[M-H]- 363.160174 196.0
[M+NH4]+ 382.201273 199.0
[M+K]+ 403.130608 186.8
[M+H-H2O]+ 347.164710 178.3
[M+HCOO]- 409.165651 204.5
[M+CH3COO]- 423.181301 214.8
[M+Na-2H]- 385.142116 185.7
[M]+ 364.16690142 185.3
[M]- 364.16799858 185.3
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