CID 99949

2,3-dihydro-4-chloro-2-((4-(4-chlorophenyl)-3-methyl-1-piperazinyl)methylene)-1h-inden-1-one

Structural Information

Molecular Formula
C21H20Cl2N2O
SMILES
CC1CN(CCN1C2=CC=C(C=C2)Cl)C=C3CC4=C(C3=O)C=CC=C4Cl
InChI
InChI=1S/C21H20Cl2N2O/c1-14-12-24(9-10-25(14)17-7-5-16(22)6-8-17)13-15-11-19-18(21(15)26)3-2-4-20(19)23/h2-8,13-14H,9-12H2,1H3
InChIKey
XWGGADKLSLFADV-UHFFFAOYSA-N
Compound name
4-chloro-2-[[4-(4-chlorophenyl)-3-methylpiperazin-1-yl]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.09528 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10256 190.4
[M+Na]+ 409.08450 206.9
[M+NH4]+ 404.12910 199.3
[M+K]+ 425.05844 197.9
[M-H]- 385.08800 196.1
[M+Na-2H]- 407.06995 197.2
[M]+ 386.09473 195.0
[M]- 386.09583 195.0
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.