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-H]- 250.17250 163.0
[M+NH4]+ 269.21360 175.5
[M+K]+ 290.14294 162.8
[M+H-H2O]+ 234.17704 151.6
[M+HCOO]- 296.17798 177.2
[M+CH3COO]- 310.19363 199.6
[M+Na-2H]- 272.15445 161.9
[M]+ 251.17923 155.1
[M]- 251.18033 155.1
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.