CID 41593

(4-propoxyphenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCOC1=CC=C(C=C1)NC(=O)OCCN2CCCCC2
InChI
InChI=1S/C17H26N2O3/c1-2-13-21-16-8-6-15(7-9-16)18-17(20)22-14-12-19-10-4-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,18,20)
InChIKey
ZEBSDHVFURDFTF-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(4-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 174.3
[M+Na]+ 329.18356 176.4
[M-H]- 305.18706 177.8
[M+NH4]+ 324.22816 186.9
[M+K]+ 345.15750 173.8
[M+H-H2O]+ 289.19160 164.7
[M+HCOO]- 351.19254 192.9
[M+CH3COO]- 365.20819 205.6
[M+Na-2H]- 327.16901 176.4
[M]+ 306.19379 173.1
[M]- 306.19489 173.1
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.