CID 20538098

300545-17-9

Structural Information

Molecular Formula
C29H40
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CC
InChI
InChI=1S/C29H40/c1-3-5-23-8-12-25(13-9-23)27-16-20-29(21-17-27)28-18-14-26(15-19-28)24-10-6-22(4-2)7-11-24/h14-25H,3-13H2,1-2H3
InChIKey
QLIAHQNEUCHJIA-UHFFFAOYSA-N
Compound name
1-(4-ethylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

388.313 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.32028 202.5
[M+Na]+ 411.30222 202.5
[M-H]- 387.30572 211.9
[M+NH4]+ 406.34682 212.7
[M+K]+ 427.27616 195.1
[M+H-H2O]+ 371.31026 190.9
[M+HCOO]- 433.31120 215.4
[M+CH3COO]- 447.32685 208.8
[M+Na-2H]- 409.28767 197.8
[M]+ 388.31245 193.7
[M]- 388.31355 193.7
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