CID 3070090

1'-(2-(4-chlorophenyl)-2-hydroxyethyl)spiro(4h-3,1-benzoxazine-4,4'-piperidin)-2(1h)-one

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CC(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C20H21ClN2O3/c21-15-7-5-14(6-8-15)18(24)13-23-11-9-20(10-12-23)16-3-1-2-4-17(16)22-19(25)26-20/h1-8,18,24H,9-13H2,(H,22,25)
InChIKey
WKYWUJMLSSXFRD-UHFFFAOYSA-N
Compound name
1'-[2-(4-chlorophenyl)-2-hydroxyethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12408 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 186.9
[M+Na]+ 395.11330 192.6
[M-H]- 371.11680 190.4
[M+NH4]+ 390.15790 196.9
[M+K]+ 411.08724 186.5
[M+H-H2O]+ 355.12134 176.8
[M+HCOO]- 417.12228 191.5
[M+CH3COO]- 431.13793 194.1
[M+Na-2H]- 393.09875 189.7
[M]+ 372.12353 182.4
[M]- 372.12463 182.4
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.