CID 5986

57-49-8

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CCOC(=O)N(C1=CC=CC=C1)C(C)CN2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C23H30N2O3/c1-3-28-22(26)25(21-12-8-5-9-13-21)19(2)18-24-16-14-23(27,15-17-24)20-10-6-4-7-11-20/h4-13,19,27H,3,14-18H2,1-2H3
InChIKey
JZHSXTUMKOTMOV-UHFFFAOYSA-N
Compound name
ethyl N-[1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.232926 195.0
[M+Na]+ 405.214868 196.0
[M-H]- 381.218374 201.5
[M+NH4]+ 400.259473 205.6
[M+K]+ 421.188808 193.2
[M+H-H2O]+ 365.222910 184.4
[M+HCOO]- 427.223851 210.8
[M+CH3COO]- 441.239501 220.7
[M+Na-2H]- 403.200316 195.3
[M]+ 382.22510142 192.2
[M]- 382.22619858 192.2
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.