CID 6109138

76691-21-9

Structural Information

Molecular Formula
C20H21ClN2O
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H21ClN2O/c1-16(15-17-7-9-18(21)10-8-17)20(24)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3/b16-15+
InChIKey
JPUQDHZKXOAANG-FOCLMDBBSA-N
Compound name
(E)-3-(4-chlorophenyl)-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

340.13425 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14153 181.7
[M+Na]+ 363.12347 196.7
[M+NH4]+ 358.16807 189.6
[M+K]+ 379.09741 187.6
[M-H]- 339.12697 186.9
[M+Na-2H]- 361.10892 190.6
[M]+ 340.13370 185.6
[M]- 340.13480 185.6
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.