CID 3088500

1h-isoindole-1,3(2h)-dione, 2-(2-(4-phenyl-1-piperidinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H22N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)15-14-22-12-10-17(11-13-22)16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKey
LLUHGZIDORKRTF-UHFFFAOYSA-N
Compound name
2-[2-(4-phenylpiperidin-1-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 181.6
[M+Na]+ 357.15734 187.6
[M-H]- 333.16084 188.6
[M+NH4]+ 352.20194 194.7
[M+K]+ 373.13128 181.2
[M+H-H2O]+ 317.16538 171.0
[M+HCOO]- 379.16632 197.6
[M+CH3COO]- 393.18197 190.9
[M+Na-2H]- 355.14279 181.2
[M]+ 334.16757 178.0
[M]- 334.16867 178.0
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.