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

25
Patents

287.16092 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.16820 167.5
[M+Na]+ 310.15014 172.7
[M-H]- 286.15364 165.9
[M+NH4]+ 305.19474 179.7
[M+K]+ 326.12408 167.6
[M+H-H2O]+ 270.15818 155.8
[M+HCOO]- 332.15912 180.4
[M+CH3COO]- 346.17477 202.8
[M+Na-2H]- 308.13559 169.3
[M]+ 287.16037 158.3
[M]- 287.16147 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