CID 6449096

3-(2-(4-chlorophenyl)-2-oxoethylidene)-1-phenylpiperazinone

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
C1CN(C(=O)/C(=C/C(=O)C2=CC=C(C=C2)Cl)/N1)C3=CC=CC=C3
InChI
InChI=1S/C18H15ClN2O2/c19-14-8-6-13(7-9-14)17(22)12-16-18(23)21(11-10-20-16)15-4-2-1-3-5-15/h1-9,12,20H,10-11H2/b16-12-
InChIKey
GEKOHDHOOPJRTA-VBKFSLOCSA-N
Compound name
(3Z)-3-[2-(4-chlorophenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0822 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 175.3
[M+Na]+ 349.07142 181.9
[M-H]- 325.07492 180.0
[M+NH4]+ 344.11602 185.9
[M+K]+ 365.04536 174.0
[M+H-H2O]+ 309.07946 165.5
[M+HCOO]- 371.08040 186.4
[M+CH3COO]- 385.09605 184.2
[M+Na-2H]- 347.05687 176.4
[M]+ 326.08165 171.3
[M]- 326.08275 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.