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]+ 298.18016 171.1
[M+Na]+ 320.16210 175.4
[M-H]- 296.16560 178.3
[M+NH4]+ 315.20670 185.9
[M+K]+ 336.13604 171.2
[M+H-H2O]+ 280.17014 161.3
[M+HCOO]- 342.17108 192.2
[M+CH3COO]- 356.18673 201.2
[M+Na-2H]- 318.14755 173.4
[M]+ 297.17233 170.8
[M]- 297.17343 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.