CID 14794248

116903-47-0

Structural Information

Molecular Formula
C24H28O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)OC
InChI
InChI=1S/C24H28O/c1-3-4-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(25-2)18-12-21/h9-12,15-19,22H,3-4,7-8,13-14H2,1-2H3
InChIKey
JQKHCVKNAJSAIX-UHFFFAOYSA-N
Compound name
1-methoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

332.21402 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.22130 185.1
[M+Na]+ 355.20324 192.5
[M-H]- 331.20674 190.5
[M+NH4]+ 350.24784 196.9
[M+K]+ 371.17718 182.8
[M+H-H2O]+ 315.21128 170.2
[M+HCOO]- 377.21222 198.0
[M+CH3COO]- 391.22787 192.8
[M+Na-2H]- 353.18869 184.0
[M]+ 332.21347 176.9
[M]- 332.21457 176.9
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