CID 2199114

N-{3-[4-(benzyloxy)phenoxy]propyl}cyclopentanamine

Structural Information

Molecular Formula
C21H27NO2
SMILES
C1CCC(C1)NCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H27NO2/c1-2-7-18(8-3-1)17-24-21-13-11-20(12-14-21)23-16-6-15-22-19-9-4-5-10-19/h1-3,7-8,11-14,19,22H,4-6,9-10,15-17H2
InChIKey
ZUGPSGKUGNCHML-UHFFFAOYSA-N
Compound name
N-[3-(4-phenylmethoxyphenoxy)propyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.211476 178.6
[M+Na]+ 348.193418 181.1
[M-H]- 324.196924 186.7
[M+NH4]+ 343.238023 193.2
[M+K]+ 364.167358 176.5
[M+H-H2O]+ 308.201460 169.1
[M+HCOO]- 370.202401 201.3
[M+CH3COO]- 384.218051 209.4
[M+Na-2H]- 346.178866 180.4
[M]+ 325.20365142 177.8
[M]- 325.20474858 177.8
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.