CID 23391103

2op3bchpa

Structural Information

Molecular Formula
C31H40O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)OCC
InChI
InChI=1S/C31H40O/c1-3-5-24-8-14-27(15-9-24)29-18-20-30(21-19-29)28-16-10-25(11-17-28)6-7-26-12-22-31(23-13-26)32-4-2/h10-13,16-17,22-24,27,29-30H,3-5,8-9,14-15,18-21H2,1-2H3
InChIKey
SIOVPWVMPNAMNG-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

428.30792 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.31520 211.3
[M+Na]+ 451.29714 215.6
[M-H]- 427.30064 217.6
[M+NH4]+ 446.34174 218.9
[M+K]+ 467.27108 203.3
[M+H-H2O]+ 411.30518 194.6
[M+HCOO]- 473.30612 219.2
[M+CH3COO]- 487.32177 215.7
[M+Na-2H]- 449.28259 205.4
[M]+ 428.30737 199.1
[M]- 428.30847 199.1
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