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 180.1
[M+Na]+ 343.17809 184.9
[M-H]- 319.18159 185.8
[M+NH4]+ 338.22269 190.9
[M+K]+ 359.15203 178.6
[M+H-H2O]+ 303.18613 169.1
[M+HCOO]- 365.18707 195.9
[M+CH3COO]- 379.20272 209.3
[M+Na-2H]- 341.16354 180.4
[M]+ 320.18832 175.9
[M]- 320.18942 175.9
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.