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]+ 367.23802 192.3
[M+Na]+ 389.21996 195.0
[M-H]- 365.22346 200.5
[M+NH4]+ 384.26456 202.9
[M+K]+ 405.19390 191.3
[M+H-H2O]+ 349.22800 181.1
[M+HCOO]- 411.22894 210.3
[M+CH3COO]- 425.24459 223.0
[M+Na-2H]- 387.20541 191.4
[M]+ 366.23019 190.9
[M]- 366.23129 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.