CID 3073759

152271-10-8

Structural Information

Molecular Formula
C20H31NO4
SMILES
CCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CN2CCCC2)O
InChI
InChI=1S/C20H31NO4/c1-3-11-24-14-17-12-16(19(23)4-2)7-8-20(17)25-15-18(22)13-21-9-5-6-10-21/h7-8,12,18,22H,3-6,9-11,13-15H2,1-2H3
InChIKey
DWUOMDFZMMONDE-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3-(propoxymethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2253 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23258 187.7
[M+Na]+ 372.21452 190.2
[M-H]- 348.21802 190.2
[M+NH4]+ 367.25912 200.1
[M+K]+ 388.18846 187.3
[M+H-H2O]+ 332.22256 179.1
[M+HCOO]- 394.22350 204.1
[M+CH3COO]- 408.23915 211.9
[M+Na-2H]- 370.19997 184.0
[M]+ 349.22475 190.0
[M]- 349.22585 190.0
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.