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]+ 321.159746 177.4
[M+Na]+ 343.141688 184.9
[M-H]- 319.145194 185.0
[M+NH4]+ 338.186293 193.2
[M+K]+ 359.115628 179.0
[M+H-H2O]+ 303.149730 167.1
[M+HCOO]- 365.150671 193.8
[M+CH3COO]- 379.166321 187.6
[M+Na-2H]- 341.127136 178.5
[M]+ 320.15192142 173.8
[M]- 320.15301858 173.8
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.