CID 37951

38198-40-2

Structural Information

Molecular Formula
C22H34N2O3
SMILES
CCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2N3CCCCC3
InChI
InChI=1S/C22H34N2O3/c1-2-3-16-26-19-11-9-10-18(17-19)23-22(25)27-21-13-6-5-12-20(21)24-14-7-4-8-15-24/h9-11,17,20-21H,2-8,12-16H2,1H3,(H,23,25)/t20-,21-/m1/s1
InChIKey
CFQBEMWFSNAVQF-NHCUHLMSSA-N
Compound name
[(1R,2R)-2-piperidin-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26424 193.5
[M+Na]+ 397.24618 192.3
[M-H]- 373.24968 198.7
[M+NH4]+ 392.29078 202.5
[M+K]+ 413.22012 188.7
[M+H-H2O]+ 357.25422 182.3
[M+HCOO]- 419.25516 207.2
[M+CH3COO]- 433.27081 218.8
[M+Na-2H]- 395.23163 191.7
[M]+ 374.25641 187.3
[M]- 374.25751 187.3
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.