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]+ 324.19582 179.8
[M+Na]+ 346.17776 182.6
[M-H]- 322.18126 186.7
[M+NH4]+ 341.22236 193.0
[M+K]+ 362.15170 178.4
[M+H-H2O]+ 306.18580 170.3
[M+HCOO]- 368.18674 197.6
[M+CH3COO]- 382.20239 206.4
[M+Na-2H]- 344.16321 181.3
[M]+ 323.18799 177.9
[M]- 323.18909 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.