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]+ 314.17508 174.3
[M+Na]+ 336.15702 177.7
[M-H]- 312.16052 180.3
[M+NH4]+ 331.20162 187.5
[M+K]+ 352.13096 173.8
[M+H-H2O]+ 296.16506 164.9
[M+HCOO]- 358.16600 193.0
[M+CH3COO]- 372.18165 201.5
[M+Na-2H]- 334.14247 175.1
[M]+ 313.16725 173.0
[M]- 313.16835 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.