CID 99949

65201-34-5

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 194.9
[M+Na]+ 409.08450 204.0
[M-H]- 385.08800 201.3
[M+NH4]+ 404.12910 207.9
[M+K]+ 425.05844 194.7
[M+H-H2O]+ 369.09254 185.1
[M+HCOO]- 431.09348 200.8
[M+CH3COO]- 445.10913 203.6
[M+Na-2H]- 407.06995 191.3
[M]+ 386.09473 194.1
[M]- 386.09583 194.1
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.