CID 3056704

73826-04-7

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCNC(=O)OC(CCN1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-2-18-17(20)21-16(15-9-5-3-6-10-15)11-14-19-12-7-4-8-13-19/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,18,20)
InChIKey
SSIXYBBQXJIUNE-UHFFFAOYSA-N
Compound name
(1-phenyl-3-piperidin-1-ylpropyl) N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 171.9
[M+Na]+ 313.188648 172.8
[M-H]- 289.192154 175.1
[M+NH4]+ 308.233253 184.7
[M+K]+ 329.162588 170.2
[M+H-H2O]+ 273.196690 162.4
[M+HCOO]- 335.197631 189.2
[M+CH3COO]- 349.213281 203.2
[M+Na-2H]- 311.174096 173.4
[M]+ 290.19888142 168.2
[M]- 290.19997858 168.2
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.