CID 3060390

1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CN1CCC(CC1)(C2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H20N2O3/c1-19-13-11-18(12-14-19,15-5-3-2-4-6-15)23-17-9-7-16(8-10-17)20(21)22/h2-10H,11-14H2,1H3
InChIKey
FPKCHECNDCATAH-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

312.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 173.8
[M+Na]+ 335.136618 177.6
[M-H]- 311.140124 181.3
[M+NH4]+ 330.181223 187.1
[M+K]+ 351.110558 170.0
[M+H-H2O]+ 295.144660 168.2
[M+HCOO]- 357.145601 193.6
[M+CH3COO]- 371.161251 199.1
[M+Na-2H]- 333.122066 180.0
[M]+ 312.14685142 169.0
[M]- 312.14794858 169.0
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

patents stripe