CID 64283

31556-12-4

Structural Information

Molecular Formula
C20H26FNO
SMILES
C1C2CC3CC1CC(C2)N(C3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H26FNO/c21-18-5-3-17(4-6-18)20(23)2-1-7-22-13-16-9-14-8-15(10-16)12-19(22)11-14/h3-6,14-16,19H,1-2,7-13H2
InChIKey
GVZBLPDIJNTKAR-UHFFFAOYSA-N
Compound name
4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.19983 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20711 179.3
[M+Na]+ 338.18905 185.6
[M-H]- 314.19255 180.2
[M+NH4]+ 333.23365 196.4
[M+K]+ 354.16299 179.5
[M+H-H2O]+ 298.19709 178.0
[M+HCOO]- 360.19803 184.9
[M+CH3COO]- 374.21368 186.1
[M+Na-2H]- 336.17450 185.0
[M]+ 315.19928 177.3
[M]- 315.20038 177.3
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.