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]+ 326.21148 178.6
[M+Na]+ 348.19342 181.1
[M-H]- 324.19692 186.7
[M+NH4]+ 343.23802 193.2
[M+K]+ 364.16736 176.5
[M+H-H2O]+ 308.20146 169.1
[M+HCOO]- 370.20240 201.3
[M+CH3COO]- 384.21805 209.4
[M+Na-2H]- 346.17887 180.4
[M]+ 325.20365 177.8
[M]- 325.20475 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.