CID 3069162

Piperazine, 1-(3-(4-nitrophenoxy)propyl)-4-(3-(trifluoromethyl)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H22F3N3O3
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H22F3N3O3/c21-20(22,23)16-3-1-4-18(15-16)25-12-10-24(11-13-25)9-2-14-29-19-7-5-17(6-8-19)26(27)28/h1,3-8,15H,2,9-14H2
InChIKey
GQPUBJRACYAMHX-UHFFFAOYSA-N
Compound name
1-[3-(4-nitrophenoxy)propyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16132 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16860 187.1
[M+Na]+ 432.15054 197.1
[M+NH4]+ 427.19514 191.1
[M+K]+ 448.12448 193.4
[M-H]- 408.15404 187.8
[M+Na-2H]- 430.13599 192.7
[M]+ 409.16077 188.3
[M]- 409.16187 188.3
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

No patent data available for this compound.