CID 139886254

3bchetofpyr

Structural Information

Molecular Formula
C22H34FNO
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=NC(=C(C=C3)OCC)F
InChI
InChI=1S/C22H34FNO/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(25-4-2)22(23)24-20/h14-19H,3-13H2,1-2H3
InChIKey
NJLNDWHZDBIFCG-UHFFFAOYSA-N
Compound name
3-ethoxy-2-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.26245 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.26973 189.8
[M+Na]+ 370.25167 191.6
[M-H]- 346.25517 194.3
[M+NH4]+ 365.29627 201.1
[M+K]+ 386.22561 186.3
[M+H-H2O]+ 330.25971 178.3
[M+HCOO]- 392.26065 201.7
[M+CH3COO]- 406.27630 215.8
[M+Na-2H]- 368.23712 186.1
[M]+ 347.26190 182.5
[M]- 347.26300 182.5
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

No patent data available for this compound.