CID 3069149

Brn 4716617

Structural Information

Molecular Formula
C19H23N3O3
SMILES
C1CN(CCN1CCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O3/c23-22(24)18-8-4-9-19(16-18)25-15-5-10-20-11-13-21(14-12-20)17-6-2-1-3-7-17/h1-4,6-9,16H,5,10-15H2
InChIKey
DASSHSZJLQOCMV-UHFFFAOYSA-N
Compound name
1-[3-(3-nitrophenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.17395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 180.8
[M+Na]+ 364.16317 195.0
[M+NH4]+ 359.20777 188.0
[M+K]+ 380.13711 189.3
[M-H]- 340.16667 187.3
[M+Na-2H]- 362.14862 189.6
[M]+ 341.17340 184.5
[M]- 341.17450 184.5
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.