CID 3088498

1h-isoindole-1,3(2h)-dione, 2-(2-(4-(2-pyridyl)-1-piperazinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H20N4O2
SMILES
C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=N4
InChI
InChI=1S/C19H20N4O2/c24-18-15-5-1-2-6-16(15)19(25)23(18)14-11-21-9-12-22(13-10-21)17-7-3-4-8-20-17/h1-8H,9-14H2
InChIKey
CFXBNOXACCQDLR-UHFFFAOYSA-N
Compound name
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

336.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 182.5
[M+Na]+ 359.14785 189.2
[M-H]- 335.15135 186.9
[M+NH4]+ 354.19245 192.5
[M+K]+ 375.12179 182.7
[M+H-H2O]+ 319.15589 170.3
[M+HCOO]- 381.15683 196.3
[M+CH3COO]- 395.17248 190.9
[M+Na-2H]- 357.13330 182.8
[M]+ 336.15808 179.1
[M]- 336.15918 179.1
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

patents stripe