CID 39208

42438-18-6

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCCOC1=CC=C(C=C1)NC(=O)OC(C)CN2CCCCC2
InChI
InChI=1S/C20H32N2O3/c1-3-4-8-15-24-19-11-9-18(10-12-19)21-20(23)25-17(2)16-22-13-6-5-7-14-22/h9-12,17H,3-8,13-16H2,1-2H3,(H,21,23)
InChIKey
IMLLKGDKNOVDAB-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylpropan-2-yl N-(4-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 188.0
[M+Na]+ 371.23052 188.5
[M-H]- 347.23402 191.0
[M+NH4]+ 366.27512 198.7
[M+K]+ 387.20446 185.8
[M+H-H2O]+ 331.23856 178.0
[M+HCOO]- 393.23950 204.5
[M+CH3COO]- 407.25515 215.4
[M+Na-2H]- 369.21597 187.3
[M]+ 348.24075 187.2
[M]- 348.24185 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.