CID 23334946

4chbzo2op

Structural Information

Molecular Formula
C25H32O3
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC
InChI
InChI=1S/C25H32O3/c1-3-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25(26)28-24-17-15-23(16-18-24)27-4-2/h11-20H,3-10H2,1-2H3
InChIKey
HXLYEYFZHOXJOP-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl) 4-(4-butylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.23514 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.242416 196.4
[M+Na]+ 403.224358 198.8
[M-H]- 379.227864 204.2
[M+NH4]+ 398.268963 207.4
[M+K]+ 419.198298 194.2
[M+H-H2O]+ 363.232400 186.1
[M+HCOO]- 425.233341 213.7
[M+CH3COO]- 439.248991 220.7
[M+Na-2H]- 401.209806 194.5
[M]+ 380.23459142 196.1
[M]- 380.23568858 196.1
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