CID 205084

1,3-indandione, 2-(4-(o-chlorophenyl)-1-piperazinyl)-2-methyl-

Structural Information

Molecular Formula
C20H19ClN2O2
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C20H19ClN2O2/c1-20(18(24)14-6-2-3-7-15(14)19(20)25)23-12-10-22(11-13-23)17-9-5-4-8-16(17)21/h2-9H,10-13H2,1H3
InChIKey
IXUKKBYQPOFHFJ-UHFFFAOYSA-N
Compound name
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.120776 184.7
[M+Na]+ 377.102718 193.9
[M-H]- 353.106224 192.4
[M+NH4]+ 372.147323 200.2
[M+K]+ 393.076658 186.5
[M+H-H2O]+ 337.110760 174.9
[M+HCOO]- 399.111701 196.4
[M+CH3COO]- 413.127351 194.7
[M+Na-2H]- 375.088166 184.5
[M]+ 354.11295142 183.7
[M]- 354.11404858 183.7
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.