CID 37949

M-propoxycarbanilic acid trans-2-piperidinocyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C21H32N2O3
SMILES
CCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCCC2N3CCCCC3
InChI
InChI=1S/C21H32N2O3/c1-2-15-25-18-10-8-9-17(16-18)22-21(24)26-20-12-5-4-11-19(20)23-13-6-3-7-14-23/h8-10,16,19-20H,2-7,11-15H2,1H3,(H,22,24)/t19?,20-/m1/s1
InChIKey
WYEVAEGHKYOKLQ-GFOWMXPYSA-N
Compound name
[(1R)-2-piperidin-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2413 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24858 191.1
[M+Na]+ 383.23052 200.5
[M+NH4]+ 378.27512 197.9
[M+K]+ 399.20446 193.2
[M-H]- 359.23402 196.2
[M+Na-2H]- 381.21597 196.7
[M]+ 360.24075 193.5
[M]- 360.24185 193.5
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.