CID 205075

Brn 0826869

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2O2/c1-20(18(23)16-9-5-6-10-17(16)19(20)24)22-13-11-21(12-14-22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKey
RBZTVXUCTTZTCH-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-phenylpiperazin-1-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.15247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 177.6
[M+Na]+ 343.14169 191.9
[M+NH4]+ 338.18629 187.4
[M+K]+ 359.11563 183.4
[M-H]- 319.14519 182.9
[M+Na-2H]- 341.12714 186.3
[M]+ 320.15192 181.3
[M]- 320.15302 181.3
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.