CID 415685

Einecs 281-240-5

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCOC(=O)NCC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-2-26-21(25)23-18-22(20-11-7-4-8-12-20)13-15-24(16-14-22)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,23,25)
InChIKey
DDOMFXWZSMHVEA-UHFFFAOYSA-N
Compound name
ethyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 187.9
[M+Na]+ 375.204318 190.2
[M-H]- 351.207824 194.4
[M+NH4]+ 370.248923 200.0
[M+K]+ 391.178258 185.6
[M+H-H2O]+ 335.212360 177.1
[M+HCOO]- 397.213301 205.8
[M+CH3COO]- 411.228951 213.8
[M+Na-2H]- 373.189766 190.7
[M]+ 352.21455142 184.4
[M]- 352.21564858 184.4
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

No patent data available for this compound.