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]+ 238.17140 156.9
[M+Na]+ 260.15334 162.9
[M-H]- 236.15684 158.4
[M+NH4]+ 255.19794 171.4
[M+K]+ 276.12728 158.5
[M+H-H2O]+ 220.16138 147.0
[M+HCOO]- 282.16232 173.9
[M+CH3COO]- 296.17797 195.7
[M+Na-2H]- 258.13879 159.0
[M]+ 237.16357 150.7
[M]- 237.16467 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.