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 187.8
[M+Na]+ 395.11330 202.0
[M+NH4]+ 390.15790 196.7
[M+K]+ 411.08724 192.4
[M-H]- 371.11680 193.1
[M+Na-2H]- 393.09875 194.5
[M]+ 372.12353 191.7
[M]- 372.12463 191.7
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

No patent data available for this compound.