CID 3069163

Brn 4555174

Structural Information

Molecular Formula
C20H24N2O3
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCOC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H24N2O3/c23-22(24)19-7-9-20(10-8-19)25-16-4-13-21-14-11-18(12-15-21)17-5-2-1-3-6-17/h1-3,5-10,18H,4,11-16H2
InChIKey
MJLMIVQYZHTAHO-UHFFFAOYSA-N
Compound name
1-[3-(4-nitrophenoxy)propyl]-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 182.7
[M+Na]+ 363.16790 184.5
[M-H]- 339.17140 189.3
[M+NH4]+ 358.21250 192.7
[M+K]+ 379.14184 175.9
[M+H-H2O]+ 323.17594 176.2
[M+HCOO]- 385.17688 201.7
[M+CH3COO]- 399.19253 205.6
[M+Na-2H]- 361.15335 186.7
[M]+ 340.17813 178.1
[M]- 340.17923 178.1
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