CID 6435622

1,1-diphenyl-4-(1-pyrrolidinyl)-3-buten-2-one hydrochloride

Structural Information

Molecular Formula
C20H21NO
SMILES
C1CCN(C1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO/c22-19(13-16-21-14-7-8-15-21)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-13,16,20H,7-8,14-15H2/b16-13+
InChIKey
FYJPXFPGXDTHNQ-DTQAZKPQSA-N
Compound name
(E)-1,1-diphenyl-4-pyrrolidin-1-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 172.9
[M+Na]+ 314.15154 185.4
[M+NH4]+ 309.19614 181.2
[M+K]+ 330.12548 178.7
[M-H]- 290.15504 178.1
[M+Na-2H]- 312.13699 181.7
[M]+ 291.16177 176.1
[M]- 291.16287 176.1
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.