CID 3088502

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

Structural Information

Molecular Formula

C₂₁H₂₁ClN₂O₃

SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21ClN2O3/c22-16-7-5-15(6-8-16)21(27)9-11-23(12-10-21)13-14-24-19(25)17-3-1-2-4-18(17)20(24)26/h1-8,27H,9-14H2

InChIKey

ICHTXOCASSBIKY-UHFFFAOYSA-N

Compound name

2-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 384.12408 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	385.131356	191.6
[M+Na]+	407.113298	199.7
[M-H]-	383.116804	197.9
[M+NH4]+	402.157903	205.2
[M+K]+	423.087238	192.2
[M+H-H2O]+	367.121340	182.0
[M+HCOO]-	429.122281	201.8
[M+CH3COO]-	443.137931	200.5
[M+Na-2H]-	405.098746	191.0
[M]+	384.12353142	190.7
[M]-	384.12462858	190.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe