CID 15229535

3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-amine

Structural Information

Molecular Formula
C14H20F3N3
SMILES
C1CN(CCN1CCCN)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H20F3N3/c15-14(16,17)12-3-1-4-13(11-12)20-9-7-19(8-10-20)6-2-5-18/h1,3-4,11H,2,5-10,18H2
InChIKey
DBWAVASEYCLVEP-UHFFFAOYSA-N
Compound name
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

287.16092 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.168196 167.5
[M+Na]+ 310.150138 172.7
[M-H]- 286.153644 165.9
[M+NH4]+ 305.194743 179.7
[M+K]+ 326.124078 167.6
[M+H-H2O]+ 270.158180 155.8
[M+HCOO]- 332.159121 180.4
[M+CH3COO]- 346.174771 202.8
[M+Na-2H]- 308.135586 169.3
[M]+ 287.16037142 158.3
[M]- 287.16146858 158.3
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