CID 212584

24588-98-5

Structural Information

Molecular Formula
C19H23NO3
SMILES
C1CCN(C1)CC(COC2=CC=CC=C2OC3=CC=CC=C3)O
InChI
InChI=1S/C19H23NO3/c21-16(14-20-12-6-7-13-20)15-22-18-10-4-5-11-19(18)23-17-8-2-1-3-9-17/h1-5,8-11,16,21H,6-7,12-15H2
InChIKey
NNOZHRVXPMQOLS-UHFFFAOYSA-N
Compound name
1-(2-phenoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 174.3
[M+Na]+ 336.157018 177.7
[M-H]- 312.160524 180.3
[M+NH4]+ 331.201623 187.5
[M+K]+ 352.130958 173.8
[M+H-H2O]+ 296.165060 164.9
[M+HCOO]- 358.166001 193.0
[M+CH3COO]- 372.181651 201.5
[M+Na-2H]- 334.142466 175.1
[M]+ 313.16725142 173.0
[M]- 313.16834858 173.0
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.