CID 205084

Brn 0841600

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]+ 355.12078 184.7
[M+Na]+ 377.10272 193.9
[M-H]- 353.10622 192.4
[M+NH4]+ 372.14732 200.2
[M+K]+ 393.07666 186.5
[M+H-H2O]+ 337.11076 174.9
[M+HCOO]- 399.11170 196.4
[M+CH3COO]- 413.12735 194.7
[M+Na-2H]- 375.08817 184.5
[M]+ 354.11295 183.7
[M]- 354.11405 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.