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]+ 294.185256 172.2
[M+Na]+ 316.167198 176.1
[M-H]- 292.170704 179.3
[M+NH4]+ 311.211803 187.0
[M+K]+ 332.141138 170.9
[M+H-H2O]+ 276.175240 162.6
[M+HCOO]- 338.176181 191.8
[M+CH3COO]- 352.191831 182.2
[M+Na-2H]- 314.152646 172.6
[M]+ 293.17743142 169.4
[M]- 293.17852858 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.