CID 43188891

1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethan-1-amine

Structural Information

Molecular Formula
C14H22FN3
SMILES
CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)N
InChI
InChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)14-5-4-12(15)10-13(14)11(2)16/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKey
IWPIHYQVHUYKJX-UHFFFAOYSA-N
Compound name
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17978 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.18706 161.5
[M+Na]+ 274.16900 166.9
[M+NH4]+ 269.21360 163.0
[M+K]+ 290.14294 175.5
[M-H]- 250.17250 162.8
[M+Na-2H]- 272.15445 151.6
[M]+ 251.17923 177.2
[M]- 251.18033 199.6
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.