CID 695465

Brn 0760277

Structural Information

Molecular Formula
C20H21N3O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKey
RTNAOYRJFPYUON-UHFFFAOYSA-N
Compound name
2-[(4-benzylpiperazin-1-yl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.1634 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 182.0
[M+Na]+ 358.15262 188.3
[M-H]- 334.15612 187.7
[M+NH4]+ 353.19722 193.5
[M+K]+ 374.12656 181.9
[M+H-H2O]+ 318.16066 170.5
[M+HCOO]- 380.16160 196.9
[M+CH3COO]- 394.17725 190.9
[M+Na-2H]- 356.13807 181.9
[M]+ 335.16285 178.5
[M]- 335.16395 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.