CID 28965269

[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanamine

Structural Information

Molecular Formula
C13H20FN3
SMILES
CCN1CCN(CC1)C2=C(C=C(C=C2)CN)F
InChI
InChI=1S/C13H20FN3/c1-2-16-5-7-17(8-6-16)13-4-3-11(10-15)9-12(13)14/h3-4,9H,2,5-8,10,15H2,1H3
InChIKey
ONYJFOAYHDGOFX-UHFFFAOYSA-N
Compound name
[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16412 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.171396 156.9
[M+Na]+ 260.153338 162.9
[M-H]- 236.156844 158.4
[M+NH4]+ 255.197943 171.4
[M+K]+ 276.127278 158.5
[M+H-H2O]+ 220.161380 147.0
[M+HCOO]- 282.162321 173.9
[M+CH3COO]- 296.177971 195.7
[M+Na-2H]- 258.138786 159.0
[M]+ 237.16357142 150.7
[M]- 237.16466858 150.7
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

No patent data available for this compound.