CID 3070014

2-propanone, 1,1-diphenyl-1-ethoxy-3-(1-pyrrolidinyl)-, hydrobromide

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)CN3CCCC3
InChI
InChI=1S/C21H25NO2/c1-2-24-21(18-11-5-3-6-12-18,19-13-7-4-8-14-19)20(23)17-22-15-9-10-16-22/h3-8,11-14H,2,9-10,15-17H2,1H3
InChIKey
DLIXFBLBVLGFGC-UHFFFAOYSA-N
Compound name
1-ethoxy-1,1-diphenyl-3-pyrrolidin-1-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 179.8
[M+Na]+ 346.177758 182.6
[M-H]- 322.181264 186.7
[M+NH4]+ 341.222363 193.0
[M+K]+ 362.151698 178.4
[M+H-H2O]+ 306.185800 170.3
[M+HCOO]- 368.186741 197.6
[M+CH3COO]- 382.202391 206.4
[M+Na-2H]- 344.163206 181.3
[M]+ 323.18799142 177.9
[M]- 323.18908858 177.9
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.