CID 3069150

Brn 4716618

Structural Information

Molecular Formula
C19H23N3O3
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O3/c23-22(24)18-7-9-19(10-8-18)25-16-4-11-20-12-14-21(15-13-20)17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2
InChIKey
XVDOTSBZOTZMSX-UHFFFAOYSA-N
Compound name
1-[3-(4-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]+ 342.181226 181.8
[M+Na]+ 364.163168 183.9
[M-H]- 340.166674 187.2
[M+NH4]+ 359.207773 190.3
[M+K]+ 380.137108 175.3
[M+H-H2O]+ 324.171210 174.5
[M+HCOO]- 386.172151 199.8
[M+CH3COO]- 400.187801 205.3
[M+Na-2H]- 362.148616 186.7
[M]+ 341.17340142 177.2
[M]- 341.17449858 177.2
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.