CID 37949

Carbanilic acid, m-propoxy-, 2-piperidinocyclohexyl ester, hydrochloride, (e)-

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]+ 361.248576 189.2
[M+Na]+ 383.230518 188.5
[M-H]- 359.234024 194.6
[M+NH4]+ 378.275123 198.8
[M+K]+ 399.204458 185.1
[M+H-H2O]+ 343.238560 178.2
[M+HCOO]- 405.239501 203.2
[M+CH3COO]- 419.255151 215.9
[M+Na-2H]- 381.215966 188.0
[M]+ 360.24075142 182.7
[M]- 360.24184858 182.7
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.