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

1
Patents

384.12408 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13136 191.6
[M+Na]+ 407.11330 199.7
[M-H]- 383.11680 197.9
[M+NH4]+ 402.15790 205.2
[M+K]+ 423.08724 192.2
[M+H-H2O]+ 367.12134 182.0
[M+HCOO]- 429.12228 201.8
[M+CH3COO]- 443.13793 200.5
[M+Na-2H]- 405.09875 191.0
[M]+ 384.12353 190.7
[M]- 384.12463 190.7
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