CID 213398

26321-26-6

Structural Information

Molecular Formula
C19H22ClNO3
SMILES
C1CCN(C1)CC(COC2=CC=CC=C2OC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C19H22ClNO3/c20-15-7-9-17(10-8-15)24-19-6-2-1-5-18(19)23-14-16(22)13-21-11-3-4-12-21/h1-2,5-10,16,22H,3-4,11-14H2
InChIKey
QXJXYNUZQCDAMW-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13608 181.2
[M+Na]+ 370.11802 186.3
[M-H]- 346.12152 187.4
[M+NH4]+ 365.16262 194.3
[M+K]+ 386.09196 180.8
[M+H-H2O]+ 330.12606 172.4
[M+HCOO]- 392.12700 195.3
[M+CH3COO]- 406.14265 206.3
[M+Na-2H]- 368.10347 180.8
[M]+ 347.12825 182.6
[M]- 347.12935 182.6
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.