CID 3078854

Brn 3628816

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CC1CC(C(CN1CCC2=CC=CC=C2)C)N(C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C23H30N2O2/c1-18-17-24(15-14-20-10-6-4-7-11-20)19(2)16-22(18)25(23(26)27-3)21-12-8-5-9-13-21/h4-13,18-19,22H,14-17H2,1-3H3
InChIKey
PTPHNQFWTBJKIA-UHFFFAOYSA-N
Compound name
methyl N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.3
[M+Na]+ 389.219958 195.0
[M-H]- 365.223464 200.5
[M+NH4]+ 384.264563 202.9
[M+K]+ 405.193898 191.3
[M+H-H2O]+ 349.228000 181.1
[M+HCOO]- 411.228941 210.3
[M+CH3COO]- 425.244591 223.0
[M+Na-2H]- 387.205406 191.4
[M]+ 366.23019142 190.9
[M]- 366.23128858 190.9
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

No patent data available for this compound.