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 181.5
[M+Na]+ 363.12347 186.2
[M-H]- 339.12697 186.8
[M+NH4]+ 358.16807 192.0
[M+K]+ 379.09741 179.2
[M+H-H2O]+ 323.13151 170.9
[M+HCOO]- 385.13245 192.0
[M+CH3COO]- 399.14810 189.8
[M+Na-2H]- 361.10892 181.5
[M]+ 340.13370 178.2
[M]- 340.13480 178.2
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.