CID 212604

O-(2-pyrrolidinylethoxy)diphenyl ether hydrochloride

Structural Information

Molecular Formula
C18H21NO2
SMILES
C1CCN(C1)CCOC2=CC=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C18H21NO2/c1-2-8-16(9-3-1)21-18-11-5-4-10-17(18)20-15-14-19-12-6-7-13-19/h1-5,8-11H,6-7,12-15H2
InChIKey
UJGYQOWEACCGQJ-UHFFFAOYSA-N
Compound name
1-[2-(2-phenoxyphenoxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 166.6
[M+Na]+ 306.146448 171.4
[M-H]- 282.149954 174.0
[M+NH4]+ 301.191053 181.9
[M+K]+ 322.120388 167.4
[M+H-H2O]+ 266.154490 157.0
[M+HCOO]- 328.155431 188.0
[M+CH3COO]- 342.171081 177.5
[M+Na-2H]- 304.131896 169.4
[M]+ 283.15668142 165.9
[M]- 283.15777858 165.9
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.