CID 6435620

1,1-diphenyl-4-piperidino-3-buten-2-one hydrochloride

Structural Information

Molecular Formula
C21H23NO
SMILES
C1CCN(CC1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO/c23-20(14-17-22-15-8-3-9-16-22)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-14,17,21H,3,8-9,15-16H2/b17-14+
InChIKey
MMJCTDZOVBHJNZ-SAPNQHFASA-N
Compound name
(E)-1,1-diphenyl-4-piperidin-1-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 176.8
[M+Na]+ 328.16720 190.2
[M+NH4]+ 323.21180 185.1
[M+K]+ 344.14114 181.1
[M-H]- 304.17070 182.7
[M+Na-2H]- 326.15265 186.3
[M]+ 305.17743 180.3
[M]- 305.17853 180.3
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.