CID 6111341

65201-17-4

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC1=CC(=C(C=C1)C(=O)/C=C/N2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H24N2O/c1-17-8-9-20(18(2)16-17)21(24)10-11-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3/b11-10+
InChIKey
GEHRSRPQKFBQJX-ZHACJKMWSA-N
Compound name
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 180.6
[M+Na]+ 343.17809 195.3
[M+NH4]+ 338.22269 188.2
[M+K]+ 359.15203 186.2
[M-H]- 319.18159 186.0
[M+Na-2H]- 341.16354 189.3
[M]+ 320.18832 184.3
[M]- 320.18942 184.3
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.