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

4
Patents

312.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 173.8
[M+Na]+ 335.13662 177.6
[M-H]- 311.14012 181.3
[M+NH4]+ 330.18122 187.1
[M+K]+ 351.11056 170.0
[M+H-H2O]+ 295.14466 168.2
[M+HCOO]- 357.14560 193.6
[M+CH3COO]- 371.16125 199.1
[M+Na-2H]- 333.12207 180.0
[M]+ 312.14685 169.0
[M]- 312.14795 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