CID 6447502

Brn 4543418

Structural Information

Molecular Formula
C21H24N2O2
SMILES
C/C(=C\C1=CC=C(C=C1)OC)/C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H24N2O2/c1-17(16-18-8-10-20(25-2)11-9-18)21(24)23-14-12-22(13-15-23)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3/b17-16+
InChIKey
ZSTBITGTBVNACS-WUKNDPDISA-N
Compound name
(E)-3-(4-methoxyphenyl)-2-methyl-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 183.0
[M+Na]+ 359.17300 196.5
[M+NH4]+ 354.21760 189.9
[M+K]+ 375.14694 188.7
[M-H]- 335.17650 187.7
[M+Na-2H]- 357.15845 191.3
[M]+ 336.18323 186.2
[M]- 336.18433 186.2
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.