CID 43135

4'-phenyl-4-(pyrrolidinyl)butyrophenone

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CCN(C1)CCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO/c22-20(9-6-16-21-14-4-5-15-21)19-12-10-18(11-13-19)17-7-2-1-3-8-17/h1-3,7-8,10-13H,4-6,9,14-16H2
InChIKey
IHNSBGVKUBYYRJ-UHFFFAOYSA-N
Compound name
1-(4-phenylphenyl)-4-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 172.2
[M+Na]+ 316.16720 176.1
[M-H]- 292.17070 179.3
[M+NH4]+ 311.21180 187.0
[M+K]+ 332.14114 170.9
[M+H-H2O]+ 276.17524 162.6
[M+HCOO]- 338.17618 191.8
[M+CH3COO]- 352.19183 182.2
[M+Na-2H]- 314.15265 172.6
[M]+ 293.17743 169.4
[M]- 293.17853 169.4
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.