CID 3055341

72279-35-7

Structural Information

Molecular Formula
C20H26FNO
SMILES
CN(C)CCCCOC1=CC=CC=C1CCC2=CC=C(C=C2)F
InChI
InChI=1S/C20H26FNO/c1-22(2)15-5-6-16-23-20-8-4-3-7-18(20)12-9-17-10-13-19(21)14-11-17/h3-4,7-8,10-11,13-14H,5-6,9,12,15-16H2,1-2H3
InChIKey
CPURTRRUMVYGSX-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-fluorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

315.19983 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20711 178.0
[M+Na]+ 338.18905 183.1
[M-H]- 314.19255 183.8
[M+NH4]+ 333.23365 192.8
[M+K]+ 354.16299 179.1
[M+H-H2O]+ 298.19709 168.0
[M+HCOO]- 360.19803 200.9
[M+CH3COO]- 374.21368 215.2
[M+Na-2H]- 336.17450 180.2
[M]+ 315.19928 180.7
[M]- 315.20038 180.7
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