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 178.4
[M+Na]+ 349.15228 181.8
[M-H]- 325.15578 185.7
[M+NH4]+ 344.19688 191.1
[M+K]+ 365.12622 173.9
[M+H-H2O]+ 309.16032 172.6
[M+HCOO]- 371.16126 197.9
[M+CH3COO]- 385.17691 202.1
[M+Na-2H]- 347.13773 184.0
[M]+ 326.16251 173.9
[M]- 326.16361 173.9
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