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

5
Patents

326.16306 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 178.4
[M+Na]+ 349.152278 181.8
[M-H]- 325.155784 185.7
[M+NH4]+ 344.196883 191.1
[M+K]+ 365.126218 173.9
[M+H-H2O]+ 309.160320 172.6
[M+HCOO]- 371.161261 197.9
[M+CH3COO]- 385.176911 202.1
[M+Na-2H]- 347.137726 184.0
[M]+ 326.16251142 173.9
[M]- 326.16360858 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