CID 37971

P-propoxycarbanilic acid trans-2-piperidinocyclohexyl ester hydrochloride

Structural Information

Molecular Formula
C21H32N2O3
SMILES
CCCOC1=CC=C(C=C1)NC(=O)O[C@@H]2CCCCC2N3CCCCC3
InChI
InChI=1S/C21H32N2O3/c1-2-16-25-18-12-10-17(11-13-18)22-21(24)26-20-9-5-4-8-19(20)23-14-6-3-7-15-23/h10-13,19-20H,2-9,14-16H2,1H3,(H,22,24)/t19?,20-/m1/s1
InChIKey
FNMXLEOVQYUAKD-GFOWMXPYSA-N
Compound name
[(1R)-2-piperidin-1-ylcyclohexyl] N-(4-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 189.2
[M+Na]+ 383.23052 188.5
[M-H]- 359.23402 194.6
[M+NH4]+ 378.27512 198.8
[M+K]+ 399.20446 185.1
[M+H-H2O]+ 343.23856 178.2
[M+HCOO]- 405.23950 203.2
[M+CH3COO]- 419.25515 215.9
[M+Na-2H]- 381.21597 188.0
[M]+ 360.24075 182.7
[M]- 360.24185 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.