CID 212612

3-pyrrolidinylpropoxydiphenyl ether hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
C1CCN(C1)CCCOC2=CC=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2/c1-2-9-17(10-3-1)22-19-12-5-4-11-18(19)21-16-8-15-20-13-6-7-14-20/h1-5,9-12H,6-8,13-16H2
InChIKey
NUFCFRGOSXNHNP-UHFFFAOYSA-N
Compound name
1-[3-(2-phenoxyphenoxy)propyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 171.1
[M+Na]+ 320.162098 175.4
[M-H]- 296.165604 178.3
[M+NH4]+ 315.206703 185.9
[M+K]+ 336.136038 171.2
[M+H-H2O]+ 280.170140 161.3
[M+HCOO]- 342.171081 192.2
[M+CH3COO]- 356.186731 201.2
[M+Na-2H]- 318.147546 173.4
[M]+ 297.17233142 170.8
[M]- 297.17342858 170.8
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.