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]+ 383.23293 195.0
[M+Na]+ 405.21487 196.0
[M-H]- 381.21837 201.5
[M+NH4]+ 400.25947 205.6
[M+K]+ 421.18881 193.2
[M+H-H2O]+ 365.22291 184.4
[M+HCOO]- 427.22385 210.8
[M+CH3COO]- 441.23950 220.7
[M+Na-2H]- 403.20032 195.3
[M]+ 382.22510 192.2
[M]- 382.22620 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.