CID 53416198

1229648-09-2

Structural Information

Molecular Formula
C23H28O3
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H28O3/c1-3-4-17-5-7-18(8-6-17)19-9-15-22(16-10-19)26-23(24)20-11-13-21(25-2)14-12-20/h9-18H,3-8H2,1-2H3
InChIKey
LSVXFMRCYMRCNX-UHFFFAOYSA-N
Compound name
[4-(4-propylcyclohexyl)phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

352.20386 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.211136 187.4
[M+Na]+ 375.193078 190.7
[M-H]- 351.196584 195.6
[M+NH4]+ 370.237683 199.6
[M+K]+ 391.167018 186.6
[M+H-H2O]+ 335.201120 177.5
[M+HCOO]- 397.202061 205.4
[M+CH3COO]- 411.217711 214.8
[M+Na-2H]- 373.178526 186.6
[M]+ 352.20331142 186.4
[M]- 352.20440858 186.4
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