CID 6447488

Brn 4515732

Structural Information

Molecular Formula
C20H22N2O
SMILES
C/C(=C\C(=O)C1=CC=CC=C1)/N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c1-17(16-20(23)18-8-4-2-5-9-18)21-12-14-22(15-13-21)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3/b17-16+
InChIKey
HIMJUQMFVZLMMI-WUKNDPDISA-N
Compound name
(E)-1-phenyl-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 175.1
[M+Na]+ 329.16244 178.1
[M-H]- 305.16594 180.3
[M+NH4]+ 324.20704 185.8
[M+K]+ 345.13638 172.6
[M+H-H2O]+ 289.17048 164.0
[M+HCOO]- 351.17142 190.2
[M+CH3COO]- 365.18707 183.5
[M+Na-2H]- 327.14789 176.4
[M]+ 306.17267 169.2
[M]- 306.17377 169.2
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.