CID 3060391

1-methyl-4-(4-nitrophenoxy)-4-(phenylmethyl)piperidine

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CN1CCC(CC1)(CC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N2O3/c1-20-13-11-19(12-14-20,15-16-5-3-2-4-6-16)24-18-9-7-17(8-10-18)21(22)23/h2-10H,11-15H2,1H3
InChIKey
ZUUIXKBVLKLWJO-UHFFFAOYSA-N
Compound name
4-benzyl-1-methyl-4-(4-nitrophenoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

326.16306 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 177.5
[M+Na]+ 349.15228 192.2
[M+NH4]+ 344.19688 187.1
[M+K]+ 365.12622 184.4
[M-H]- 325.15578 184.8
[M+Na-2H]- 347.13773 188.2
[M]+ 326.16251 181.8
[M]- 326.16361 181.8
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