CID 55419

Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride

Structural Information

Molecular Formula
C20H24F3N3O
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)N)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H24F3N3O/c21-20(22,23)16-3-1-4-18(15-16)26-12-10-25(11-13-26)9-2-14-27-19-7-5-17(24)6-8-19/h1,3-8,15H,2,9-14,24H2
InChIKey
GDPJNQSPAQBFNW-UHFFFAOYSA-N
Compound name
4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.18713 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19441 191.8
[M+Na]+ 402.17635 196.5
[M-H]- 378.17985 193.1
[M+NH4]+ 397.22095 199.7
[M+K]+ 418.15029 189.7
[M+H-H2O]+ 362.18439 178.0
[M+HCOO]- 424.18533 204.0
[M+CH3COO]- 438.20098 219.8
[M+Na-2H]- 400.16180 192.3
[M]+ 379.18658 184.0
[M]- 379.18768 184.0
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.